8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one

C18H16N2O — CID 175964942

IUPAC8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one
SMILESC=Cc1cc(C)cc2c(=O)n(C)c(-c3ccccc3)nc12
InChIInChI=1S/C18H16N2O/c1-4-13-10-12(2)11-15-16(13)19-17(20(3)18(15)21)14-8-6-5-7-9-14/h4-11H,1H2,2-3H3
InChIKeyPVCNFPKTWDOAGO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.55
Rot. Bonds2

About 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one

8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one (PubChem CID 175964942) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one
PubChem CID175964942
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one
SMILESC=Cc1cc(C)cc2c(=O)n(C)c(-c3ccccc3)nc12
InChIInChI=1S/C18H16N2O/c1-4-13-10-12(2)11-15-16(13)19-17(20(3)18(15)21)14-8-6-5-7-9-14/h4-11H,1H2,2-3H3
InChIKeyPVCNFPKTWDOAGO-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one?
The IUPAC name of 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one (CID 175964942) is 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one.
What is the SMILES notation for 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one?
The canonical SMILES for 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one is C=Cc1cc(C)cc2c(=O)n(C)c(-c3ccccc3)nc12.
What is the InChIKey of 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one?
The InChIKey is PVCNFPKTWDOAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-4-13-10-12(2)11-15-16(13)19-17(20(3)18(15)21)14-8-6-5-7-9-14/h4-11H,1H2,2-3H3.
What are the key properties of 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one?
8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-3,6-dimethyl-2-phenylquinazolin-4-one is sourced from PubChem (CID 175964942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).