N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

C16H15N3O — CID 5328015

IUPACN-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyMCZPCSYKZMFAHI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 5328015) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID5328015
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyMCZPCSYKZMFAHI-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-[(4-methoxyphenyl)methyl]quinazolin-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-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (CID 5328015) is N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is MCZPCSYKZMFAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-13-8-6-12(7-9-13)10-17-16-14-4-2-3-5-15(14)18-11-19-16/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
N-[(4-methoxyphenyl)methyl]quinazolin-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-[(4-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 5328015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).