2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C28H23N3O2 — CID 23824682

IUPAC2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O2/c1-32-23-15-11-21(12-16-23)27-30-26-10-6-5-9-25(26)28(31-27)29-22-13-17-24(18-14-22)33-19-20-7-3-2-4-8-20/h2-18H,19H2,1H3,(H,29,30,31)
InChIKeyBIJFBNBOWDKIOC-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.63
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 23824682) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID23824682
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O2/c1-32-23-15-11-21(12-16-23)27-30-26-10-6-5-9-25(26)28(31-27)29-22-13-17-24(18-14-22)33-19-20-7-3-2-4-8-20/h2-18H,19H2,1H3,(H,29,30,31)
InChIKeyBIJFBNBOWDKIOC-UHFFFAOYSA-N
XLogP6.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)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

N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-(4-butylphenyl)-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 46498613
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 23824682) is 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is BIJFBNBOWDKIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-32-23-15-11-21(12-16-23)27-30-26-10-6-5-9-25(26)28(31-27)29-22-13-17-24(18-14-22)33-19-20-7-3-2-4-8-20/h2-18H,19H2,1H3,(H,29,30,31).
What are the key properties of 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 433.51 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 23824682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).