6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine

C21H17N3O — CID 3235342

IUPAC6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C21H17N3O/c1-25-20-10-6-5-9-17(20)15-11-12-19-18(13-15)21(23-14-22-19)24-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
InChIKeySEYDAWLUHLINNI-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

About 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine

6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine (PubChem CID 3235342) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
PubChem CID3235342
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C21H17N3O/c1-25-20-10-6-5-9-17(20)15-11-12-19-18(13-15)21(23-14-22-19)24-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
InChIKeySEYDAWLUHLINNI-UHFFFAOYSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-diphenylquinazolin-4-amine
CID 86766666
6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3234919
[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
CID 161446124
6-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3232787
4-anilinoquinazolin-6-ol;ethane
CID 91520479
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
CID 3234707
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine (CID 3235342) is 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine is COc1ccccc1-c1ccc2ncnc(Nc3ccccc3)c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine?
The InChIKey is SEYDAWLUHLINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-20-10-6-5-9-17(20)15-11-12-19-18(13-15)21(23-14-22-19)24-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine?
6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3235342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).