Basic information
- CAS
6281-58-9- Standard SMILES
CC1CCCN1c1ccnc2cc(Cl)ccc12- InChIKey
GYORBDCAYLXAIL-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2
- Average molar mass
- 246.73 g/mol
- Monoisotopic mass
- 246.0923762
Overview
formed by reaction of chloroquine with trichloroethyl chloroformate
Names & identifiers
- Preferred name
- 4-(2-Methyl-1-pyrrolidyl)-7-chloroquinoline
- IUPAC
- 7-chloro-4-(2-methylpyrrolidin-1-yl)quinoline
- English name
- 4-(2-methyl-1-pyrrolidyl)-7-chloroquinoline
- Molecular formula
- C14H15ClN2
- Molecular weight
- 246.74
Names & synonyms
6281-58-94-(2-Methyl-1-pyrrolidyl)-7-chloroquinolineNSC-58205338U255D2RefChem:970714-MPCQ7-chloro-4-(2-methylpyrrolidin-1-yl)quinolineHydroxychloroquine Impurity F7-Chloro-4-(2-methyl-1-pyrrolidinyl)quinolineNX 357Quinoline, 7-chloro-4-(2-methyl-1-pyrrolidinyl)-Quinoline, 7-chloro-4-(2-methylpyrrolidinyl)-
Show more names
NX-357Plaquenil Impurity 2Chloroquine Impurity AHydroxychloroquine sulfate Impurity FHydroxychloroquine Sulphate Imp.1 HClHydroxychloroquine Sulphate Impurity 1Hydroxychloroquine Sulfate EP Impurity F
7-Chloro-4-(2-methyltetrahydropyrrolyl)quinolineMLS002637841NSC58207-Chloro-4-(2-methyl-1-pyrrolidinyl)-quinolineNSC 5820BRN 0203557Hydroxychloroquine EP Impurity FMFCD01685619
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 141 · 141-147 °C(Press: 0.02 Torr)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 7.7 · 7.70±0.50(Predicted)
- form
- Oil
- color
- Yellow to Light Brown
- InChI
- InChI=1S/C14H15ClN2/c1-10-3-2-8-17(10)14-6-7-16-13-9-11(15)4-5-12(13)14/h4-7,9-10H,2-3,8H2,1H3
- InChIKey
- GYORBDCAYLXAIL-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(Cl)C=2)C(N2CCCC2C)=CC=1
- FDA UNII
- 5338 U255D2 · 5338U255D2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 56mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses7-Chloro-4-(2-methyl-1-pyrrolidinyl)-quinoline is a Chloroquine (C380315), iimpurity. Chloroquine is used in the treatment of malaria and MDR-strains.
Suppliers48 total
天津始加生物医药科技有限公司15022261580 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司
Related reactions
0 records
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Compound notes
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