6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C24H23N5O — CID 22484234

About 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 22484234) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• PubChem CID: 22484234
• Molecular Formula: C24H23N5O
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.19
• IUPAC Name: 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CN)cc34)cc2C)cn1
• InChI: InChI=1S/C24H23N5O/c1-16-12-19(7-10-23(16)30-20-8-5-17(2)26-14-20)29-24-21-13-18(4-3-11-25)6-9-22(21)27-15-28-24/h3-10,12-15H,11,25H2,1-2H3,(H,27,28,29)/b4-3+
• InChIKey: KTGLGIUGHIGVMU-ONEGZZNKSA-N
• XLogP: 5.15
• TPSA: 85.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 22484234) is 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

What is the SMILES notation for 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The canonical SMILES for 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CN)cc34)cc2C)cn1.

What is the InChIKey of 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The InChIKey is KTGLGIUGHIGVMU-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-12-19(7-10-23(16)30-20-8-5-17(2)26-14-20)29-24-21-13-18(4-3-11-25)6-9-22(21)27-15-28-24/h3-10,12-15H,11,25H2,1-2H3,(H,27,28,29)/b4-3+.

What are the key properties of 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 397.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 22484234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).