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10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C24H26N2O5 — CID 155675837

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1N1CC3(CC(=O)C3)C1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C24H26N2O5/c1-13(2)18-4-14-5-20(25-11-24(12-25)8-15(27)9-24)22(31-3)6-16(14)19-7-21(28)17(23(29)30)10-26(18)19/h5-7,10,13,18H,4,8-9,11-12H2,1-3H3,(H,29,30)
InChIKeyUBQKVASYKYHUBA-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.14
Rot. Bonds4

About 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 155675837) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID155675837
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1N1CC3(CC(=O)C3)C1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C24H26N2O5/c1-13(2)18-4-14-5-20(25-11-24(12-25)8-15(27)9-24)22(31-3)6-16(14)19-7-21(28)17(23(29)30)10-26(18)19/h5-7,10,13,18H,4,8-9,11-12H2,1-3H3,(H,29,30)
InChIKeyUBQKVASYKYHUBA-UHFFFAOYSA-N
XLogP3.14
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 155675837) is 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COc1cc2c(cc1N1CC3(CC(=O)C3)C1)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is UBQKVASYKYHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-13(2)18-4-14-5-20(25-11-24(12-25)8-15(27)9-24)22(31-3)6-16(14)19-7-21(28)17(23(29)30)10-26(18)19/h5-7,10,13,18H,4,8-9,11-12H2,1-3H3,(H,29,30).
What are the key properties of 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 422.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 155675837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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