2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid

C17H21FN2O4 — CID 119252685

IUPAC2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C17H21FN2O4/c1-9(2)5-10(17(23)24)8-19-16(22)13-7-15(21)20-14-6-11(18)3-4-12(13)14/h3-4,6,9-10,13H,5,7-8H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyAGIPCCDHSDOHBC-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.11
Rot. Bonds6

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

2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 119252685) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID119252685
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C17H21FN2O4/c1-9(2)5-10(17(23)24)8-19-16(22)13-7-15(21)20-14-6-11(18)3-4-12(13)14/h3-4,6,9-10,13H,5,7-8H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyAGIPCCDHSDOHBC-UHFFFAOYSA-N
XLogP2.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 119252685) is 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)O.
What is the InChIKey of 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is AGIPCCDHSDOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-9(2)5-10(17(23)24)8-19-16(22)13-7-15(21)20-14-6-11(18)3-4-12(13)14/h3-4,6,9-10,13H,5,7-8H2,1-2H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 336.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119252685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).