2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C15H14N2O — CID 2818760

IUPAC2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
InChIKeyZRJPAELTYZGKSY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.85
Rot. Bonds1

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

2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 2818760) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID2818760
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
InChIKeyZRJPAELTYZGKSY-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 2818760) is 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is Cc1ccc(C2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZRJPAELTYZGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 238.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 2818760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).