2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one

C16H15ClN2O — CID 3121405

IUPAC2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-18-14-10-6-4-8-12(14)16(20)19(2)15(18)11-7-3-5-9-13(11)17/h3-10,15H,1-2H3
InChIKeyHPHDKXHUWUKZDT-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.56
Rot. Bonds1

About 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one

2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 3121405) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID3121405
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-18-14-10-6-4-8-12(14)16(20)19(2)15(18)11-7-3-5-9-13(11)17/h3-10,15H,1-2H3
InChIKeyHPHDKXHUWUKZDT-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one (CID 3121405) is 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one is CN1C(=O)c2ccccc2N(C)C1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is HPHDKXHUWUKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-18-14-10-6-4-8-12(14)16(20)19(2)15(18)11-7-3-5-9-13(11)17/h3-10,15H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one?
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 286.76 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 3121405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).