3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one

C21H19N3O — CID 13402257

IUPAC3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one
SMILESCc1ccc(N2CN(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C21H19N3O/c1-16-11-13-18(14-12-16)23-15-24(22-17-7-3-2-4-8-17)21(25)19-9-5-6-10-20(19)23/h2-14,22H,15H2,1H3
InChIKeyGXZPXZOOGJYEGA-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.57
Rot. Bonds3

About 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one

3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one (PubChem CID 13402257) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one
PubChem CID13402257
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one
SMILESCc1ccc(N2CN(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C21H19N3O/c1-16-11-13-18(14-12-16)23-15-24(22-17-7-3-2-4-8-17)21(25)19-9-5-6-10-20(19)23/h2-14,22H,15H2,1H3
InChIKeyGXZPXZOOGJYEGA-UHFFFAOYSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one?
The IUPAC name of 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one (CID 13402257) is 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one.
What is the SMILES notation for 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one?
The canonical SMILES for 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one is Cc1ccc(N2CN(Nc3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one?
The InChIKey is GXZPXZOOGJYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-16-11-13-18(14-12-16)23-15-24(22-17-7-3-2-4-8-17)21(25)19-9-5-6-10-20(19)23/h2-14,22H,15H2,1H3.
What are the key properties of 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one?
3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one is sourced from PubChem (CID 13402257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).