(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide

C17H13ClF2N2O2 — CID 151010120

IUPAC(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
SMILESO=C1CC[C@@](F)(C(=O)NCc2ccc(Cl)cc2F)c2cccnc21
InChIInChI=1S/C17H13ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8H,5-6,9H2,(H,22,24)/t17-/m0/s1
InChIKeyLVXHLJAEGIKZIU-KRWDZBQOSA-N
MW350.75 g/mol
LogP3.33
Rot. Bonds3

About (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide

(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide (PubChem CID 151010120) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
PubChem CID151010120
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Name(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
SMILESO=C1CC[C@@](F)(C(=O)NCc2ccc(Cl)cc2F)c2cccnc21
InChIInChI=1S/C17H13ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8H,5-6,9H2,(H,22,24)/t17-/m0/s1
InChIKeyLVXHLJAEGIKZIU-KRWDZBQOSA-N
XLogP3.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 142429476
N-[(2-chloro-3-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433596
(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433742
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433580
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
(5R,8S)-N-[(2,4-dichlorophenyl)methyl]-5-fluorospiro[6,7-dihydroquinoline-8,2'-oxirane]-5-carboxamide
CID 155454214
(5S,8R)-8-amino-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-(hydroxymethyl)-6,7-dihydroquinoline-5-carboxamide
CID 153407355
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylsulfanyl-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663781
N-[(4-chloro-2,6-difluorophenyl)methyl]-5-fluoro-8-hydroxy-8-(hydroxymethyl)-6,7-dihydroquinoline-5-carboxamide
CID 156663751
(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433543

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The IUPAC name of (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide (CID 151010120) is (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide.
What is the SMILES notation for (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The canonical SMILES for (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide is O=C1CC[C@@](F)(C(=O)NCc2ccc(Cl)cc2F)c2cccnc21.
What is the InChIKey of (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The InChIKey is LVXHLJAEGIKZIU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8H,5-6,9H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide?
(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide has a molecular weight of 350.75 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide is sourced from PubChem (CID 151010120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).