3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine

C21H17N3O — CID 122226451

IUPAC3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine
SMILES[H]/N=c1\c2ccccc2nc(-c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)24-20(22)18-9-5-6-10-19(18)23-21(24)15-7-3-2-4-8-15/h2-14,22H,1H3/b22-20+
InChIKeyKFUCJMGLSATUAF-LSDHQDQOSA-N
MW327.39 g/mol
LogP4.18
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine

3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine (PubChem CID 122226451) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine
PubChem CID122226451
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine
SMILES[H]/N=c1\c2ccccc2nc(-c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)24-20(22)18-9-5-6-10-19(18)23-21(24)15-7-3-2-4-8-15/h2-14,22H,1H3/b22-20+
InChIKeyKFUCJMGLSATUAF-LSDHQDQOSA-N
XLogP4.18
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine (CID 122226451) is 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine is [H]/N=c1\c2ccccc2nc(-c2ccccc2)n1-c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine?
The InChIKey is KFUCJMGLSATUAF-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)24-20(22)18-9-5-6-10-19(18)23-21(24)15-7-3-2-4-8-15/h2-14,22H,1H3/b22-20+.
What are the key properties of 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine?
3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine has a molecular weight of 327.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenylquinazolin-4-imine is sourced from PubChem (CID 122226451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).