4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid

C20H19NO4 — CID 53212411

IUPAC4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid
SMILESO=C(O)CCCOc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H19NO4/c22-19-13-18(25-12-6-11-20(23)24)16-9-4-5-10-17(16)21(19)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,23,24)
InChIKeyOJMUDYUWBLHMPE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.29
Rot. Bonds7

About 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid

4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid (PubChem CID 53212411) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid
PubChem CID53212411
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid
SMILESO=C(O)CCCOc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H19NO4/c22-19-13-18(25-12-6-11-20(23)24)16-9-4-5-10-17(16)21(19)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,23,24)
InChIKeyOJMUDYUWBLHMPE-UHFFFAOYSA-N
XLogP3.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic 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

1-benzyl-4-prop-2-ynoxyquinolin-2-one
CID 10085571
4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
CID 110273820
4-(1-benzyl-3-carbamoyl-2,4-dimethylindol-5-yl)oxybutanoic acid
CID 54108878
N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide
CID 20861918
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
4-[[(5S)-9-benzyl-5-carbamoyl-2-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid
CID 54302405
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
4-hexoxy-1-hydroxyquinolin-2-one
CID 140979704
5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypentanoic acid
CID 10620653
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid?
The IUPAC name of 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid (CID 53212411) is 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid.
What is the SMILES notation for 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid?
The canonical SMILES for 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid is O=C(O)CCCOc1cc(=O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid?
The InChIKey is OJMUDYUWBLHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-19-13-18(25-12-6-11-20(23)24)16-9-4-5-10-17(16)21(19)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,23,24).
What are the key properties of 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid?
4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid is sourced from PubChem (CID 53212411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).