7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid

C14H15NO3 — CID 142567543

IUPAC7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc(C)cc21
InChIInChI=1S/C14H15NO3/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyXVKUVKPBWYEAMF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.42
Rot. Bonds3

About 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid

7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (PubChem CID 142567543) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
PubChem CID142567543
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc(C)cc21
InChIInChI=1S/C14H15NO3/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyXVKUVKPBWYEAMF-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Flumequine
CID 3374
Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid
CID 68459
Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 854165
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
4-Oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 308815
Ibafloxacin
CID 71186
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
4-Quinolone-3-carboxylic acid
CID 220875
4-Hydroxy-6,8-dimethylquinoline-3-carboxylic acid
CID 720014
4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 90260
Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
CID 97019

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The IUPAC name of 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (CID 142567543) is 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2ccc(C)cc21.
What is the InChIKey of 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The InChIKey is XVKUVKPBWYEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-6-15-8-11(14(17)18)13(16)10-5-4-9(2)7-12(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is sourced from PubChem (CID 142567543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).