4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid

C21H21FN2O4 — CID 120547282

IUPAC4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H21FN2O4/c22-14-6-8-16-17(12-19(25)24-18(16)11-14)21(28)23-15(7-9-20(26)27)10-13-4-2-1-3-5-13/h1-6,8,11,15,17H,7,9-10,12H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyQIHSPMIBZJDZDP-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.84
Rot. Bonds7

About 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid

4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547282) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547282
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H21FN2O4/c22-14-6-8-16-17(12-19(25)24-18(16)11-14)21(28)23-15(7-9-20(26)27)10-13-4-2-1-3-5-13/h1-6,8,11,15,17H,7,9-10,12H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyQIHSPMIBZJDZDP-UHFFFAOYSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

(4S)-4-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]-4-phenylbutanoic acid
CID 99644152
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
CID 120546604
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639
(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29421011
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
2-[benzyl-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]acetic acid
CID 125149786
4-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]-5-phenylpentanoic acid
CID 154869426
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154878580

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid (CID 120547282) is 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is QIHSPMIBZJDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-14-6-8-16-17(12-19(25)24-18(16)11-14)21(28)23-15(7-9-20(26)27)10-13-4-2-1-3-5-13/h1-6,8,11,15,17H,7,9-10,12H2,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid?
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 384.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).