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

C17H17NO4 — CID 118251711

IUPAC9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H17NO4/c1-9-4-12-11(6-16(9)22-3)5-10(2)18-8-13(17(20)21)15(19)7-14(12)18/h4,6-8,10H,5H2,1-3H3,(H,20,21)
InChIKeyGSMYJBGXJUIVBN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.65
Rot. Bonds2

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

9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251711) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251711
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2
InChIInChI=1S/C17H17NO4/c1-9-4-12-11(6-16(9)22-3)5-10(2)18-8-13(17(20)21)15(19)7-14(12)18/h4,6-8,10H,5H2,1-3H3,(H,20,21)
InChIKeyGSMYJBGXJUIVBN-UHFFFAOYSA-N
XLogP2.65
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251711) is 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1C(C)C2.
What is the InChIKey of 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is GSMYJBGXJUIVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-9-4-12-11(6-16(9)22-3)5-10(2)18-8-13(17(20)21)15(19)7-14(12)18/h4,6-8,10H,5H2,1-3H3,(H,20,21).
What are the key properties of 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).