7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine

C23H27F3N4O3 — CID 170146823

About 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine

7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine (PubChem CID 170146823) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine
• PubChem CID: 170146823
• Molecular Formula: C23H27F3N4O3
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.20
• IUPAC Name: 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine
• SMILES: CCC(COC)Oc1cc2c(N[C@H](C)c3ccnc(C(F)(F)F)c3)nc(C)nc2cc1OC
• InChI: InChI=1S/C23H27F3N4O3/c1-6-16(12-31-4)33-20-10-17-18(11-19(20)32-5)29-14(3)30-22(17)28-13(2)15-7-8-27-21(9-15)23(24,25)26/h7-11,13,16H,6,12H2,1-5H3,(H,28,29,30)/t13-,16?/m1/s1
• InChIKey: YOXDQWFWOOZQMJ-JBZHPUCOSA-N
• XLogP: 5.34
• TPSA: 78.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine?

The IUPAC name of 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine (CID 170146823) is 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine.

What is the SMILES notation for 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine?

The canonical SMILES for 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine is CCC(COC)Oc1cc2c(N[C@H](C)c3ccnc(C(F)(F)F)c3)nc(C)nc2cc1OC.

What is the InChIKey of 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine?

The InChIKey is YOXDQWFWOOZQMJ-JBZHPUCOSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-6-16(12-31-4)33-20-10-17-18(11-19(20)32-5)29-14(3)30-22(17)28-13(2)15-7-8-27-21(9-15)23(24,25)26/h7-11,13,16H,6,12H2,1-5H3,(H,28,29,30)/t13-,16?/m1/s1.

What are the key properties of 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine?

7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine has a molecular weight of 464.49 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 170146823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).