3-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-

HCID 3051695

Notes Reactions

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Basic information

CAS: 67681-84-9
Standard SMILES: CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)cc21
InChIKey: IKDSIKIBLPIUKA-UHFFFAOYSA-N
Molecular formula: C16H18ClN3O3
Average molar mass: 335.78 g/mol
Monoisotopic mass: 335.1036691

Names & identifiers

Preferred name: 3-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-
IUPAC: 6-chloro-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
English name: 6-Chloro-1-Ethyl-4-Oxo-7-(Piperazin-1-yl)-1,4-Dihydroquinoline-3-Carboxylic acid
Molecular formula: C16H18ClN3O3
Molecular weight: 335.79

Names & synonyms

67681-84-93-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-DTXSID40217978RefChem:1068777DTXCID901404696-Chloro-1-Ethyl-4-Oxo-7-(Piperazin-1-yl)-1,4-Dihydroquinoline-3-Carboxylic acidNorfloxacin EP Impurity F6-chloro-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acidU77JYB68HV1,4-Dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acidUNII-U77JYB68HV6-Chloro-1-ethyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)quinoline-3-carboxylic acid

Show more names

Norfloxacin Impurity 83-Quinolinecarboxylic acid, 6-chloro-1-ethyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-6-Chloro-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (Norfloxacin Impurity)

CHEMBL1192299SCHEMBL10753542IKDSIKIBLPIUKA-UHFFFAOYSA-NDB-263827NORFLOXACIN IMPURITY F [EP IMPURITY]Norfloxacin EP Impurity F(Discontinued,See C4X-146826)1-ethyl-6-chloro-7-(1-piperazinyl)-4-oxo-1,4-dihydoquinoline-3-carboxylic acid1-ethyl-6-chloro-7-(1-piperazinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Database identifiers

CAS: 67681-84-9
PubChem CID: 3051695
DTXSID: DTXSID40217978
ChEMBL: CHEMBL1192299
UNII: U77JYB68HV
Nikkaji: J981.007B

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 519

Physicochemical properties

Boiling point: 586.4 · 586.4±50.0 °C(Predicted)
Density: 1.369 · 1.369±0.06 g/cm3(Predicted)
pka: 0.1 · 0.10±0.20(Predicted)
FDA UNII: 77 JYB68HV · U77JYB68HV

Chemistry & industry

Suppliers43 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

南京望知星医药科技有限公司18569809817 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

Related reactions

8 records

New reaction record

HRID 176075As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 544223As reactantuspto-grants-1984_05

HRID 544224As reactantuspto-grants-1984_05

HRID 544225As reactantuspto-grants-1984_05

HRID 544226As reactantuspto-grants-1984_05

HRID 1234050As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1578258As productuspto-grants-1981_09

HRID 2340756As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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