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

C14H15NO3 — CID 53269520

IUPAC8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2cccc(C)c21
InChIInChI=1S/C14H15NO3/c1-3-7-15-8-11(14(17)18)13(16)10-6-4-5-9(2)12(10)15/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeySOZDRVCPGPGZFG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.42
Rot. Bonds3

About 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid

8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (PubChem CID 53269520) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
PubChem CID53269520
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2cccc(C)c21
InChIInChI=1S/C14H15NO3/c1-3-7-15-8-11(14(17)18)13(16)10-6-4-5-9(2)12(10)15/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeySOZDRVCPGPGZFG-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

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Related Compounds

1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 66487817
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
CID 117098558
3-acetyl-7-methyl-1-propylindole-5-carboxylic acid
CID 83947911
3,7-dimethyl-1-propylindole-5-carboxylic acid
CID 83945963
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The IUPAC name of 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid (CID 53269520) is 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The canonical SMILES for 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2cccc(C)c21.
What is the InChIKey of 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
The InChIKey is SOZDRVCPGPGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-7-15-8-11(14(17)18)13(16)10-6-4-5-9(2)12(10)15/h4-6,8H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid?
8-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 8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid is sourced from PubChem (CID 53269520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).