3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid

C14H15NO3 — CID 648600

IUPAC3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O
InChIInChI=1S/C14H15NO3/c1-9-3-4-12-11(7-9)10(2)8-13(16)15(12)6-5-14(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyIJPMOOLUWLFNOJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.09
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid

3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid (PubChem CID 648600) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid
PubChem CID648600
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O
InChIInChI=1S/C14H15NO3/c1-9-3-4-12-11(7-9)10(2)8-13(16)15(12)6-5-14(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyIJPMOOLUWLFNOJ-UHFFFAOYSA-N
XLogP2.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid
CID 268297
1,4-Dimethyl-2-quinolone
CID 97252
Quinolinepropionic acid, 1,2,3,4-tetrahydro-
CID 98707
2(1H)-Quinolinone, 1,6-dimethyl-
CID 121604
4-Ethyl-1,3-dimethyl-2(1H)-quinolinone
CID 27048
2(1H)-Quinolinone, 1-ethyl-6-methyl-
CID 104602
2(1H)-Quinolinone, 1-ethyl-
CID 104603
4-Oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)but-2-enoic acid
CID 721642
Flucarbril
CID 16751
Methyl 6-methyl-1,2,3,4-tetrahydroquinolinecarboxylate
CID 1247540
N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 2021697
Quinoline, 1,2,3,4-tetrahydro-6-methyl-1-(2-methyl-1-oxo-2-butenyl)-, (E)-
CID 6448119

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid (CID 648600) is 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid is Cc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is IJPMOOLUWLFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-3-4-12-11(7-9)10(2)8-13(16)15(12)6-5-14(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid?
3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 648600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).