9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C19H23N3O5 — CID 74243671

About 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 74243671) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 74243671
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: COC1CCCOC12CCN(C(=O)c1cnc3c(O)cccn3c1=O)CC2
• InChI: InChI=1S/C19H23N3O5/c1-26-15-5-3-11-27-19(15)6-9-21(10-7-19)17(24)13-12-20-16-14(23)4-2-8-22(16)18(13)25/h2,4,8,12,15,23H,3,5-7,9-11H2,1H3
• InChIKey: NLMKLBSAMQQNEW-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 74243671) is 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is COC1CCCOC12CCN(C(=O)c1cnc3c(O)cccn3c1=O)CC2.

What is the InChIKey of 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is NLMKLBSAMQQNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-15-5-3-11-27-19(15)6-9-21(10-7-19)17(24)13-12-20-16-14(23)4-2-8-22(16)18(13)25/h2,4,8,12,15,23H,3,5-7,9-11H2,1H3.

What are the key properties of 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?

9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 373.41 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-3-(5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74243671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).