4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid

C22H24N2O4 — CID 120536392

IUPAC4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)N(CCCC(=O)O)Cc3ccccc3)ccc21
InChIInChI=1S/C22H24N2O4/c1-23-19-11-9-18(14-17(19)10-12-20(23)25)22(28)24(13-5-8-21(26)27)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,15H2,1H3,(H,26,27)
InChIKeyZSJASMKKMQLGOJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.10
Rot. Bonds7

About 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid

4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid (PubChem CID 120536392) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid
PubChem CID120536392
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)N(CCCC(=O)O)Cc3ccccc3)ccc21
InChIInChI=1S/C22H24N2O4/c1-23-19-11-9-18(14-17(19)10-12-20(23)25)22(28)24(13-5-8-21(26)27)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,15H2,1H3,(H,26,27)
InChIKeyZSJASMKKMQLGOJ-UHFFFAOYSA-N
XLogP3.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic 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

5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid
CID 120519574
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
4-[benzyl-[4-(cyclopropylcarbamoyl)benzoyl]amino]butanoic acid
CID 120536427
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[[3-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 120526366
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid (CID 120536392) is 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid is CN1C(=O)CCc2cc(C(=O)N(CCCC(=O)O)Cc3ccccc3)ccc21.
What is the InChIKey of 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid?
The InChIKey is ZSJASMKKMQLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-23-19-11-9-18(14-17(19)10-12-20(23)25)22(28)24(13-5-8-21(26)27)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,15H2,1H3,(H,26,27).
What are the key properties of 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid?
4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120536392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).