2-methyl-3-(N-phenylanilino)quinazolin-4-one

C21H17N3O — CID 597833

IUPAC2-methyl-3-(N-phenylanilino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c1-16-22-20-15-9-8-14-19(20)21(25)23(16)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyBFNBKXZJCVZRKY-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.31
Rot. Bonds3

About 2-methyl-3-(N-phenylanilino)quinazolin-4-one

2-methyl-3-(N-phenylanilino)quinazolin-4-one (PubChem CID 597833) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-3-(N-phenylanilino)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(N-phenylanilino)quinazolin-4-one
PubChem CID597833
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-methyl-3-(N-phenylanilino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c1-16-22-20-15-9-8-14-19(20)21(25)23(16)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyBFNBKXZJCVZRKY-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(N-phenylanilino)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(N-phenylanilino)quinazolin-4-one (CID 597833) is 2-methyl-3-(N-phenylanilino)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(N-phenylanilino)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(N-phenylanilino)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-3-(N-phenylanilino)quinazolin-4-one?
The InChIKey is BFNBKXZJCVZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-16-22-20-15-9-8-14-19(20)21(25)23(16)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of 2-methyl-3-(N-phenylanilino)quinazolin-4-one?
2-methyl-3-(N-phenylanilino)quinazolin-4-one has a molecular weight of 327.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(N-phenylanilino)quinazolin-4-one is sourced from PubChem (CID 597833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).