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

C23H21N3O — CID 69221588

IUPAC2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-27-19-13-11-18(12-14-19)16-24-23-20-9-5-6-10-21(20)25-22(26-23)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25,26)
InChIKeyFHBVWEGLPUPXQS-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.84
Rot. Bonds6

About 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 69221588) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID69221588
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(Cc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-27-19-13-11-18(12-14-19)16-24-23-20-9-5-6-10-21(20)25-22(26-23)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25,26)
InChIKeyFHBVWEGLPUPXQS-UHFFFAOYSA-N
XLogP4.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-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

Related Compounds

2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
CID 90896586
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
CID 69232051
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (CID 69221588) is 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2nc(Cc3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is FHBVWEGLPUPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-27-19-13-11-18(12-14-19)16-24-23-20-9-5-6-10-21(20)25-22(26-23)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25,26).
What are the key properties of 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 69221588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).