9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C19H21NO5 — CID 118251739

About 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251739) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

• Compound Name: 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
• PubChem CID: 118251739
• Molecular Formula: C19H21NO5
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.14
• IUPAC Name: 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
• SMILES: COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
• InChI: InChI=1S/C19H21NO5/c1-10(2)14-5-11-6-17(24-3)18(25-4)7-12(11)15-8-16(21)13(19(22)23)9-20(14)15/h6-10,14H,5H2,1-4H3,(H,22,23)
• InChIKey: SNAWTXCSDVYOFJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 77.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The IUPAC name of 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251739) is 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

What is the SMILES notation for 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The canonical SMILES for 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2.

What is the InChIKey of 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The InChIKey is SNAWTXCSDVYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-10(2)14-5-11-6-17(24-3)18(25-4)7-12(11)15-8-16(21)13(19(22)23)9-20(14)15/h6-10,14H,5H2,1-4H3,(H,22,23).

What are the key properties of 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).