Basic information
- CAS
725705-50-0- Standard SMILES
Cc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1- InChIKey
ZQUGUBWZURTKAI-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0713064
Names & identifiers
- Preferred name
- 7-Chloro-8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
- IUPAC
- 7-chloro-8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
- English name
- 7-CHLORO-8-METHYL-2-(3-METHYLPHENYL)QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C18H14ClNO2
- Molecular weight
- 311.76
Names & synonyms
7-chloro-8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid725705-50-07-Chloro-8-methyl-2-(m-tolyl)quinoline-4-carboxylic acidMFCD03422096DTXSID601174341ALBB-000652BBL017488STK448957AKOS003345124SB73085VS-06210CS-0317242
Show more names
4-Quinolinecarboxylic acid, 7-chloro-8-methyl-2-(3-methylphenyl)-
ST50856581H210267-Chloro-8-methyl-2-(m-tolyl)quinoline-4-carboxylicacid7-Chloro-8-methyl-2-(3-methylphenyl)-4-quinolinecarboxylic acid
Database identifiers
- CAS
725705-50-0- PubChem CID
- 3545220
- DTXSID
DTXSID601174341
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 497.2 · 497.2±45.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 0.83 · 0.83±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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