6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one

C17H16N2O — CID 899340

IUPAC6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one
SMILESC=C1c2cc(C)c(C)cc2NC(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-11-9-15-13(3)19(14-7-5-4-6-8-14)17(20)18-16(15)10-12(11)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyORPWCBBBYPPRIJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.33
Rot. Bonds1

About 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one

6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one (PubChem CID 899340) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one
PubChem CID899340
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one
SMILESC=C1c2cc(C)c(C)cc2NC(=O)N1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-11-9-15-13(3)19(14-7-5-4-6-8-14)17(20)18-16(15)10-12(11)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyORPWCBBBYPPRIJ-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 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one?
The IUPAC name of 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one (CID 899340) is 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one is C=C1c2cc(C)c(C)cc2NC(=O)N1c1ccccc1.
What is the InChIKey of 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one?
The InChIKey is ORPWCBBBYPPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-9-15-13(3)19(14-7-5-4-6-8-14)17(20)18-16(15)10-12(11)2/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one?
6,7-dimethyl-4-methylidene-3-phenyl-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 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 899340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).