3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid

C17H22N2O5 — CID 119221434

IUPAC3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H22N2O5/c1-11(9-17(22)23)18-15(20)3-2-8-24-13-5-6-14-12(10-13)4-7-16(21)19-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeySCMKJASVYOHMAP-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.71
Rot. Bonds8

About 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid

3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid (PubChem CID 119221434) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
PubChem CID119221434
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H22N2O5/c1-11(9-17(22)23)18-15(20)3-2-8-24-13-5-6-14-12(10-13)4-7-16(21)19-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeySCMKJASVYOHMAP-UHFFFAOYSA-N
XLogP1.71
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid with MolForge

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119615003
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55677179
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]cyclohexane-1-carboxylic acid
CID 120545359
methyl (2R)-2-(2,4-difluorophenyl)-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]acetate
CID 97247312
ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate
CID 55673887

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The IUPAC name of 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid (CID 119221434) is 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid.
What is the SMILES notation for 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The canonical SMILES for 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid is CC(CC(=O)O)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
The InChIKey is SCMKJASVYOHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11(9-17(22)23)18-15(20)3-2-8-24-13-5-6-14-12(10-13)4-7-16(21)19-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid?
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid is sourced from PubChem (CID 119221434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).