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

C16H14N2O — CID 744399

IUPAC4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
SMILESC=C1c2ccccc2NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)18-12(2)14-5-3-4-6-15(14)17-16(18)19/h3-10H,2H2,1H3,(H,17,19)
InChIKeyZCRRXPCYLDLVPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds1

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

4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one (PubChem CID 744399) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
PubChem CID744399
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
SMILESC=C1c2ccccc2NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)18-12(2)14-5-3-4-6-15(14)17-16(18)19/h3-10H,2H2,1H3,(H,17,19)
InChIKeyZCRRXPCYLDLVPW-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The IUPAC name of 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one (CID 744399) is 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one is C=C1c2ccccc2NC(=O)N1c1ccc(C)cc1.
What is the InChIKey of 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
The InChIKey is ZCRRXPCYLDLVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)18-12(2)14-5-3-4-6-15(14)17-16(18)19/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one?
4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one has a molecular weight of 250.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 744399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).