1-benzyl-4-oxoquinolizine-3-carboxylic acid

C17H13NO3 — CID 14600462

IUPAC1-benzyl-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C17H13NO3/c19-16-14(17(20)21)11-13(10-12-6-2-1-3-7-12)15-8-4-5-9-18(15)16/h1-9,11H,10H2,(H,20,21)
InChIKeyLFOTZNLDSBVCJH-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.59
Rot. Bonds3

About 1-benzyl-4-oxoquinolizine-3-carboxylic acid

1-benzyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 14600462) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-benzyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID14600462
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-benzyl-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C17H13NO3/c19-16-14(17(20)21)11-13(10-12-6-2-1-3-7-12)15-8-4-5-9-18(15)16/h1-9,11H,10H2,(H,20,21)
InChIKeyLFOTZNLDSBVCJH-UHFFFAOYSA-N
XLogP2.59
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-oxoquinolizine-3-carboxylic acid (CID 14600462) is 1-benzyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1cc(Cc2ccccc2)c2ccccn2c1=O.
What is the InChIKey of 1-benzyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is LFOTZNLDSBVCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-14(17(20)21)11-13(10-12-6-2-1-3-7-12)15-8-4-5-9-18(15)16/h1-9,11H,10H2,(H,20,21).
What are the key properties of 1-benzyl-4-oxoquinolizine-3-carboxylic acid?
1-benzyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 14600462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).