(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H17FN4O2 — CID 51513570

IUPAC(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN4O2/c20-11-5-6-12-13(10-18(25)24-16(12)9-11)19(26)21-8-7-17-22-14-3-1-2-4-15(14)23-17/h1-6,9,13H,7-8,10H2,(H,21,26)(H,22,23)(H,24,25)/t13-/m0/s1
InChIKeyLXNQJAIZSQPROM-ZDUSSCGKSA-N
MW352.37 g/mol
LogP2.49
Rot. Bonds4

About (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 51513570) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID51513570
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN4O2/c20-11-5-6-12-13(10-18(25)24-16(12)9-11)19(26)21-8-7-17-22-14-3-1-2-4-15(14)23-17/h1-6,9,13H,7-8,10H2,(H,21,26)(H,22,23)(H,24,25)/t13-/m0/s1
InChIKeyLXNQJAIZSQPROM-ZDUSSCGKSA-N
XLogP2.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 124607179
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41412645
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 139008352
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 51513570) is (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(F)cc2N1.
What is the InChIKey of (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LXNQJAIZSQPROM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-11-5-6-12-13(10-18(25)24-16(12)9-11)19(26)21-8-7-17-22-14-3-1-2-4-15(14)23-17/h1-6,9,13H,7-8,10H2,(H,21,26)(H,22,23)(H,24,25)/t13-/m0/s1.
What are the key properties of (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51513570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).