6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one

C17H16N2O — CID 744400

IUPAC6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
SMILESC=C1c2cc(C)ccc2NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-11-4-7-14(8-5-11)19-13(3)15-10-12(2)6-9-16(15)18-17(19)20/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyUPTBRUAMGQXASI-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.33
Rot. Bonds1

About 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one

6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one (PubChem CID 744400) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
PubChem CID744400
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
SMILESC=C1c2cc(C)ccc2NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-11-4-7-14(8-5-11)19-13(3)15-10-12(2)6-9-16(15)18-17(19)20/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyUPTBRUAMGQXASI-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The IUPAC name of 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one (CID 744400) is 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one is C=C1c2cc(C)ccc2NC(=O)N1c1ccc(C)cc1.
What is the InChIKey of 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The InChIKey is UPTBRUAMGQXASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-4-7-14(8-5-11)19-13(3)15-10-12(2)6-9-16(15)18-17(19)20/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 744400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).