8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

C25H31N7O5 — CID 167764176

About 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 167764176) has the molecular formula C25H31N7O5 and a molecular weight of 509.57 g/mol. Its IUPAC name is 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 167764176
• Molecular Formula: C25H31N7O5
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.24
• IUPAC Name: 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: COc1ccc2c(NC3CCC4(CC3)NC(=O)NC4=O)nc(N3CCC4(CCNC(=O)O4)CC3)nc2c1
• InChI: InChI=1S/C25H31N7O5/c1-36-16-2-3-17-18(14-16)28-21(32-12-9-24(10-13-32)8-11-26-23(35)37-24)29-19(17)27-15-4-6-25(7-5-15)20(33)30-22(34)31-25/h2-3,14-15H,4-13H2,1H3,(H,26,35)(H,27,28,29)(H2,30,31,33,34)
• InChIKey: FJSRIKNIEBWISC-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 146.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 167764176) is 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc2c(NC3CCC4(CC3)NC(=O)NC4=O)nc(N3CCC4(CCNC(=O)O4)CC3)nc2c1.

What is the InChIKey of 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is FJSRIKNIEBWISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O5/c1-36-16-2-3-17-18(14-16)28-21(32-12-9-24(10-13-32)8-11-26-23(35)37-24)29-19(17)27-15-4-6-25(7-5-15)20(33)30-22(34)31-25/h2-3,14-15H,4-13H2,1H3,(H,26,35)(H,27,28,29)(H2,30,31,33,34).

What are the key properties of 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione?

8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 509.57 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[7-methoxy-2-(2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)quinazolin-4-yl]amino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 167764176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).