7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide

C18H15ClFN3O2 — CID 99581512

IUPAC7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H15ClFN3O2/c19-14-7-16-12(6-15(14)20)17(24)13(9-23(16)11-3-4-11)18(25)22-8-10-2-1-5-21-10/h1-2,5-7,9,11,21H,3-4,8H2,(H,22,25)
InChIKeyPOTJTCFRQXXOHF-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.39
Rot. Bonds4

About 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide

7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 99581512) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
PubChem CID99581512
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H15ClFN3O2/c19-14-7-16-12(6-15(14)20)17(24)13(9-23(16)11-3-4-11)18(25)22-8-10-2-1-5-21-10/h1-2,5-7,9,11,21H,3-4,8H2,(H,22,25)
InChIKeyPOTJTCFRQXXOHF-UHFFFAOYSA-N
XLogP3.39
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 146717195
7-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155386722
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-[(2-fluorophenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46861235
7-chloro-N-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)-2-oxoethyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 161410871
7-chloro-N-[4-[2-(4-cyanophenyl)-2-oxoethyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 158718270
7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155401297
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
CID 155401502

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide (CID 99581512) is 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide is O=C(NCc1ccc[nH]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is POTJTCFRQXXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-14-7-16-12(6-15(14)20)17(24)13(9-23(16)11-3-4-11)18(25)22-8-10-2-1-5-21-10/h1-2,5-7,9,11,21H,3-4,8H2,(H,22,25).
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 99581512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).