3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid

C14H15NO3 — CID 2063579

IUPAC3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)O)c(C)c2c1
InChIInChI=1S/C14H15NO3/c1-8-3-5-12-11(7-8)9(2)10(14(18)15-12)4-6-13(16)17/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIAMHBULUYWCXRP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.16
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid

3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 2063579) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID2063579
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)O)c(C)c2c1
InChIInChI=1S/C14H15NO3/c1-8-3-5-12-11(7-8)9(2)10(14(18)15-12)4-6-13(16)17/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIAMHBULUYWCXRP-UHFFFAOYSA-N
XLogP2.16
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid (CID 2063579) is 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid is Cc1ccc2[nH]c(=O)c(CCC(=O)O)c(C)c2c1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is IAMHBULUYWCXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-3-5-12-11(7-8)9(2)10(14(18)15-12)4-6-13(16)17/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 2063579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).