2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one

C15H13ClN2O — CID 54778354

IUPAC2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccc(Cl)cc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
InChIKeyJVNNEQAYIKZACR-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.37
Rot. Bonds1

About 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one

2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one (PubChem CID 54778354) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
PubChem CID54778354
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccc(Cl)cc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
InChIKeyJVNNEQAYIKZACR-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one (CID 54778354) is 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one is CC1(c2ccc(Cl)cc2)NC(=O)c2ccccc2N1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The InChIKey is JVNNEQAYIKZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14(19)18-15/h2-9,17H,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one has a molecular weight of 272.74 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 54778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).