1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C16H17FN2O4 — CID 97311297

IUPAC1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C1C[C@H](C(=O)NC2(C(=O)O)CCCC2)c2ccc(F)cc2N1
InChIInChI=1S/C16H17FN2O4/c17-9-3-4-10-11(8-13(20)18-12(10)7-9)14(21)19-16(15(22)23)5-1-2-6-16/h3-4,7,11H,1-2,5-6,8H2,(H,18,20)(H,19,21)(H,22,23)/t11-/m0/s1
InChIKeyMLOHTMLMBOTSDF-NSHDSACASA-N
MW320.32 g/mol
LogP1.77
Rot. Bonds3

About 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 97311297) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID97311297
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C1C[C@H](C(=O)NC2(C(=O)O)CCCC2)c2ccc(F)cc2N1
InChIInChI=1S/C16H17FN2O4/c17-9-3-4-10-11(8-13(20)18-12(10)7-9)14(21)19-16(15(22)23)5-1-2-6-16/h3-4,7,11H,1-2,5-6,8H2,(H,18,20)(H,19,21)(H,22,23)/t11-/m0/s1
InChIKeyMLOHTMLMBOTSDF-NSHDSACASA-N
XLogP1.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41412645
7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110883093
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119475717
7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119450828
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135411
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639
(4S)-N-[3-[1-(1,3-dioxolan-2-yl)cycloheptyl]propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95781327

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 97311297) is 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C1C[C@H](C(=O)NC2(C(=O)O)CCCC2)c2ccc(F)cc2N1.
What is the InChIKey of 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MLOHTMLMBOTSDF-NSHDSACASA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-9-3-4-10-11(8-13(20)18-12(10)7-9)14(21)19-16(15(22)23)5-1-2-6-16/h3-4,7,11H,1-2,5-6,8H2,(H,18,20)(H,19,21)(H,22,23)/t11-/m0/s1.
What are the key properties of 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97311297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).