N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine

C22H26ClFN4O2 — CID 143021800

About N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine

N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine (PubChem CID 143021800) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine
• PubChem CID: 143021800
• Molecular Formula: C22H26ClFN4O2
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.17
• IUPAC Name: N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine
• SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(C)CN(C)C(C)C
• InChI: InChI=1S/C22H26ClFN4O2/c1-13(2)28(4)11-14(3)30-20-9-15-18(10-19(20)29-5)25-12-26-22(15)27-17-8-6-7-16(23)21(17)24/h6-10,12-14H,11H2,1-5H3,(H,25,26,27)
• InChIKey: AVXMUSLWHITYMQ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine?

The IUPAC name of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine (CID 143021800) is N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine.

What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine?

The canonical SMILES for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(C)CN(C)C(C)C.

What is the InChIKey of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine?

The InChIKey is AVXMUSLWHITYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c1-13(2)28(4)11-14(3)30-20-9-15-18(10-19(20)29-5)25-12-26-22(15)27-17-8-6-7-16(23)21(17)24/h6-10,12-14H,11H2,1-5H3,(H,25,26,27).

What are the key properties of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine?

N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine has a molecular weight of 432.93 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine is sourced from PubChem (CID 143021800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).