3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

C13H13NO3 — CID 2991379

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2cc(CCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C13H13NO3/c1-8-2-3-9-7-10(4-5-12(15)16)13(17)14-11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeySPTGORMPTISHFL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.85
Rot. Bonds3

About 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 2991379) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID2991379
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2cc(CCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C13H13NO3/c1-8-2-3-9-7-10(4-5-12(15)16)13(17)14-11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeySPTGORMPTISHFL-UHFFFAOYSA-N
XLogP1.85
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (CID 2991379) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is Cc1ccc2cc(CCC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is SPTGORMPTISHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-2-3-9-7-10(4-5-12(15)16)13(17)14-11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 2991379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).