4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid

C13H15NO3 — CID 117337941

IUPAC4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H15NO3/c15-12-7-6-10-5-4-9(8-11(10)14-12)2-1-3-13(16)17/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyJWVRTLZVLLRMPK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid

4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid (PubChem CID 117337941) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
PubChem CID117337941
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H15NO3/c15-12-7-6-10-5-4-9(8-11(10)14-12)2-1-3-13(16)17/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyJWVRTLZVLLRMPK-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
7-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one;5,5-dimethylhexanoic acid;sulfanol
CID 170973995
5-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pentanoic acid
CID 82501267
7-[2-(1-aminocyclopropyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 105488328
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid (CID 117337941) is 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid is O=C(O)CCCc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid?
The InChIKey is JWVRTLZVLLRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-7-6-10-5-4-9(8-11(10)14-12)2-1-3-13(16)17/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid?
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid is sourced from PubChem (CID 117337941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).