4-(2-oxo-6H-quinolin-3-yl)butanoic acid

C13H13NO3 — CID 69457352

IUPAC4-(2-oxo-6H-quinolin-3-yl)butanoic acid
SMILESO=C(O)CCCC1=CC2=CCC=CC2=NC1=O
InChIInChI=1S/C13H13NO3/c15-12(16)7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)17/h2,4,6,8H,1,3,5,7H2,(H,15,16)
InChIKeyAVDQQJBSNPADAC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.04
Rot. Bonds4

About 4-(2-oxo-6H-quinolin-3-yl)butanoic acid

4-(2-oxo-6H-quinolin-3-yl)butanoic acid (PubChem CID 69457352) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2-oxo-6H-quinolin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-6H-quinolin-3-yl)butanoic acid
PubChem CID69457352
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(2-oxo-6H-quinolin-3-yl)butanoic acid
SMILESO=C(O)CCCC1=CC2=CCC=CC2=NC1=O
InChIInChI=1S/C13H13NO3/c15-12(16)7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)17/h2,4,6,8H,1,3,5,7H2,(H,15,16)
InChIKeyAVDQQJBSNPADAC-UHFFFAOYSA-N
XLogP2.04
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohepta-1,3,6-trien-1-ylbutanoic acid
CID 144999211
6-[5-(methoxyamino)cyclopenta-1,4-dien-1-yl]hexanoic acid
CID 56988599
4-(cyclooctatetraenyl)butanoic acid
CID 121008169
3-cyclohexa-1,4-dien-1-ylpropanoic acid
CID 10986432
6-(2,5-dioxopyrrol-3-yl)hexanoic acid
CID 22114220
7-(3-oxocyclopenten-1-yl)heptanoic acid
CID 22444568
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
4-[4-[bis(2-chloroethyl)amino]cyclohepta-1,3,6-trien-1-yl]butanoic acid
CID 143136176
4-(1,3,4-oxadiazol-2-yl)butanoic acid
CID 39235436
5-amino-3,4-dihydropyrrol-2-one;pentanedioic acid
CID 175959163
hydrazine;pentanedioic acid;dihydrate
CID 172730564

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-6H-quinolin-3-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-6H-quinolin-3-yl)butanoic acid (CID 69457352) is 4-(2-oxo-6H-quinolin-3-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-6H-quinolin-3-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-6H-quinolin-3-yl)butanoic acid is O=C(O)CCCC1=CC2=CCC=CC2=NC1=O.
What is the InChIKey of 4-(2-oxo-6H-quinolin-3-yl)butanoic acid?
The InChIKey is AVDQQJBSNPADAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(16)7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)17/h2,4,6,8H,1,3,5,7H2,(H,15,16).
What are the key properties of 4-(2-oxo-6H-quinolin-3-yl)butanoic acid?
4-(2-oxo-6H-quinolin-3-yl)butanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-6H-quinolin-3-yl)butanoic acid is sourced from PubChem (CID 69457352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).