N-benzyl-7-methoxyquinazolin-4-amine

C16H15N3O — CID 5328032

IUPACN-benzyl-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccccc3)ncnc2c1
InChIInChI=1S/C16H15N3O/c1-20-13-7-8-14-15(9-13)18-11-19-16(14)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyWVKPEHVWDHASND-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About N-benzyl-7-methoxyquinazolin-4-amine

N-benzyl-7-methoxyquinazolin-4-amine (PubChem CID 5328032) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-7-methoxyquinazolin-4-amine
PubChem CID5328032
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-benzyl-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccccc3)ncnc2c1
InChIInChI=1S/C16H15N3O/c1-20-13-7-8-14-15(9-13)18-11-19-16(14)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyWVKPEHVWDHASND-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-7-methoxyquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-7-methoxyquinazolin-4-amine (CID 5328032) is N-benzyl-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-7-methoxyquinazolin-4-amine is COc1ccc2c(NCc3ccccc3)ncnc2c1.
What is the InChIKey of N-benzyl-7-methoxyquinazolin-4-amine?
The InChIKey is WVKPEHVWDHASND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-13-7-8-14-15(9-13)18-11-19-16(14)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-7-methoxyquinazolin-4-amine?
N-benzyl-7-methoxyquinazolin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 5328032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).