deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one

C51H59F2N10O8P — CID 165057243

About deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one

deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one (PubChem CID 165057243) has the molecular formula C51H59F2N10O8P and a molecular weight of 1010.07 g/mol. Its IUPAC name is deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one.

Molecular Properties

• Compound Name: deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one
• PubChem CID: 165057243
• Molecular Formula: C51H59F2N10O8P
• Molecular Weight: 1010.07 g/mol
• Exact Mass: 1009.43
• IUPAC Name: deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one
• SMILES: COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCCC(=O)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCCC(O)C4)nn23)c(OC)c1.[2H]CP
• InChI: InChI=1S/C25H28FN5O4.C25H26FN5O4.CH5P/c2*1-33-17-8-7-15(21(10-17)34-2)13-27-25-28-20-12-22(35-3)19(26)11-18(20)24-29-23(30-31(24)25)14-5-4-6-16(32)9-14;1-2/h7-8,10-12,14,16,32H,4-6,9,13H2,1-3H3,(H,27,28);7-8,10-12,14H,4-6,9,13H2,1-3H3,(H,27,28);2H2,1H3/i;;1D
• InChIKey: QPYLZUZQTUHSMC-PRQZKWGPSA-N
• XLogP: 8.85
• TPSA: 202.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.07
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one?

The IUPAC name of deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one (CID 165057243) is deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one.

What is the SMILES notation for deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one?

The canonical SMILES for deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one is COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCCC(=O)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCCC(O)C4)nn23)c(OC)c1.[2H]CP.

What is the InChIKey of deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one?

The InChIKey is QPYLZUZQTUHSMC-PRQZKWGPSA-N. The full InChI is InChI=1S/C25H28FN5O4.C25H26FN5O4.CH5P/c2*1-33-17-8-7-15(21(10-17)34-2)13-27-25-28-20-12-22(35-3)19(26)11-18(20)24-29-23(30-31(24)25)14-5-4-6-16(32)9-14;1-2/h7-8,10-12,14,16,32H,4-6,9,13H2,1-3H3,(H,27,28);7-8,10-12,14H,4-6,9,13H2,1-3H3,(H,27,28);2H2,1H3/i;;1D.

What are the key properties of deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one?

deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one has a molecular weight of 1010.07 g/mol, XLogP of 8.85, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for deuteriomethylphosphane;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-ol;3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 165057243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).