(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H18FN3O2 — CID 29434450

IUPAC(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1C
InChIInChI=1S/C17H18FN3O2/c1-10-3-5-12(21(10)2)9-19-17(23)14-8-16(22)20-15-7-11(18)4-6-13(14)15/h3-7,14H,8-9H2,1-2H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyKNFNMEYAQDZXDV-AWEZNQCLSA-N
MW315.35 g/mol
LogP2.21
Rot. Bonds3

About (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 29434450) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID29434450
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1C
InChIInChI=1S/C17H18FN3O2/c1-10-3-5-12(21(10)2)9-19-17(23)14-8-16(22)20-15-7-11(18)4-6-13(14)15/h3-7,14H,8-9H2,1-2H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyKNFNMEYAQDZXDV-AWEZNQCLSA-N
XLogP2.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167907158
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41406742
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86985115
7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42935967
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
(4R)-7-fluoro-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41404978
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 29434450) is (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1C.
What is the InChIKey of (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KNFNMEYAQDZXDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10-3-5-12(21(10)2)9-19-17(23)14-8-16(22)20-15-7-11(18)4-6-13(14)15/h3-7,14H,8-9H2,1-2H3,(H,19,23)(H,20,22)/t14-/m0/s1.
What are the key properties of (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 29434450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).