6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C15H13NO3 — CID 72765913

IUPAC6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCC1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19)
InChIKeyWMJNBEIEVDGJDE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.33
Rot. Bonds1

About 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 72765913) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID72765913
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCC1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19)
InChIKeyWMJNBEIEVDGJDE-UHFFFAOYSA-N
XLogP2.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 72765913) is 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CC1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is WMJNBEIEVDGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 72765913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).