6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H16N2O — CID 135445951

IUPAC6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C15H16N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17,18)
InChIKeyAWWUCGWPZOTOFC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.56
Rot. Bonds1

About 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135445951) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135445951
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C15H16N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17,18)
InChIKeyAWWUCGWPZOTOFC-UHFFFAOYSA-N
XLogP2.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135445951) is 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CC1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is AWWUCGWPZOTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-7-8-13-12(9-10)15(18)17-14(16-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17,18).
What are the key properties of 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135445951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).