N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine

C22H19N3 — CID 11631224

IUPACN-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-16-11-13-17(14-12-16)15-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyQFYMIMRZUPOQJQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.22
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine

N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine (PubChem CID 11631224) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
PubChem CID11631224
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-16-11-13-17(14-12-16)15-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyQFYMIMRZUPOQJQ-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-2-phenylquinazolin-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

Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 45261670
N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
CID 164677719
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine (CID 11631224) is N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine is Cc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine?
The InChIKey is QFYMIMRZUPOQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-11-13-17(14-12-16)15-23-22-19-9-5-6-10-20(19)24-21(25-22)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine?
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 11631224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).