9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

About 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 175080938) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name	9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID	175080938
Molecular Formula	C27H30N2O6
Molecular Weight	478.55 g/mol
Exact Mass	478.21
IUPAC Name	9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILES	COc1cc2c(cc1N1CCC3(C1)C(=O)CCCC3=O)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChI	InChI=1S/C27H30N2O6/c1-15(2)19-9-16-10-21(28-8-7-27(14-28)24(31)5-4-6-25(27)32)23(35-3)11-17(16)20-12-22(30)18(26(33)34)13-29(19)20/h10-13,15,19H,4-9,14H2,1-3H3,(H,33,34)
InChIKey	DYITZWDMNMGSPG-UHFFFAOYSA-N
XLogP	3.49
TPSA	105.91 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The IUPAC name of 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 175080938) is 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

What is the SMILES notation for 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The canonical SMILES for 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COc1cc2c(cc1N1CCC3(C1)C(=O)CCCC3=O)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.

What is the InChIKey of 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

The InChIKey is DYITZWDMNMGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-15(2)19-9-16-10-21(28-8-7-27(14-28)24(31)5-4-6-25(27)32)23(35-3)11-17(16)20-12-22(30)18(26(33)34)13-29(19)20/h10-13,15,19H,4-9,14H2,1-3H3,(H,33,34).

What are the key properties of 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?

9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6,10-dioxo-2-azaspiro[4.5]decan-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 175080938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).