(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine

C22H19N3O — CID 68516638

IUPAC(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
SMILESCOc1ccc(C(N)c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-26-17-13-11-15(12-14-17)20(23)21-18-9-5-6-10-19(18)24-22(25-21)16-7-3-2-4-8-16/h2-14,20H,23H2,1H3
InChIKeyAJUIDQFVVWGQHB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.35
Rot. Bonds4

About (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine

(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine (PubChem CID 68516638) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
PubChem CID68516638
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
SMILESCOc1ccc(C(N)c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-26-17-13-11-15(12-14-17)20(23)21-18-9-5-6-10-19(18)24-22(25-21)16-7-3-2-4-8-16/h2-14,20H,23H2,1H3
InChIKeyAJUIDQFVVWGQHB-UHFFFAOYSA-N
XLogP4.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
CID 87276665
1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
CID 68775417
(2-phenylquinazolin-4-yl)-pyridin-2-ylmethanamine
CID 66893083
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
[2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 68517339
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
(2-chloroquinazolin-4-yl)-(3,4-dimethoxyphenyl)methanamine
CID 87482327
4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
CID 68515654
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147
(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine
CID 67337970
(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine
CID 68514561

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine (CID 68516638) is (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine is COc1ccc(C(N)c2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine?
The InChIKey is AJUIDQFVVWGQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-17-13-11-15(12-14-17)20(23)21-18-9-5-6-10-19(18)24-22(25-21)16-7-3-2-4-8-16/h2-14,20H,23H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine?
(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine has a molecular weight of 341.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine is sourced from PubChem (CID 68516638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).