6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C19H21NO4 — CID 118251785

IUPAC6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCc1cc2c(cc1OC)CC(CC)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C19H21NO4/c1-4-11-7-14-12(8-18(11)24-3)6-13(5-2)20-10-15(19(22)23)17(21)9-16(14)20/h7-10,13H,4-6H2,1-3H3,(H,22,23)
InChIKeyVQSQWJHOTZMGNX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.29
Rot. Bonds4

About 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251785) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251785
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCc1cc2c(cc1OC)CC(CC)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C19H21NO4/c1-4-11-7-14-12(8-18(11)24-3)6-13(5-2)20-10-15(19(22)23)17(21)9-16(14)20/h7-10,13H,4-6H2,1-3H3,(H,22,23)
InChIKeyVQSQWJHOTZMGNX-UHFFFAOYSA-N
XLogP3.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,10-diethyl-9-methoxy-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 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251785) is 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCc1cc2c(cc1OC)CC(CC)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is VQSQWJHOTZMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-11-7-14-12(8-18(11)24-3)6-13(5-2)20-10-15(19(22)23)17(21)9-16(14)20/h7-10,13H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-diethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).