3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

C20H19FN2O4 — CID 120522203

IUPAC3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1
InChIInChI=1S/C20H19FN2O4/c1-11(20(26)27)18(12-5-3-2-4-6-12)23-19(25)14-9-13-7-8-17(24)22-16(13)10-15(14)21/h2-6,9-11,18H,7-8H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyZCTLTAVWTKJTIO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.90
Rot. Bonds5

About 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 120522203) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
PubChem CID120522203
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1
InChIInChI=1S/C20H19FN2O4/c1-11(20(26)27)18(12-5-3-2-4-6-12)23-19(25)14-9-13-7-8-17(24)22-16(13)10-15(14)21/h2-6,9-11,18H,7-8H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyZCTLTAVWTKJTIO-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 71847322
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
(2R,3R)-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 124696081
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467651
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3R)-oxan-3-yl]acetic acid
CID 129467652
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120524210
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
3-[(2-chloro-3-fluorobenzoyl)amino]-2-methyl-3-phenylpropanoic acid
CID 75513392

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (CID 120522203) is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1.
What is the InChIKey of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is ZCTLTAVWTKJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-11(20(26)27)18(12-5-3-2-4-6-12)23-19(25)14-9-13-7-8-17(24)22-16(13)10-15(14)21/h2-6,9-11,18H,7-8H2,1H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 370.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 120522203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).