7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one

C16H15ClN2O — CID 18317464

IUPAC7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(C)c2c(n1)CC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C16H15ClN2O/c1-9-16-14(19-10(2)18-9)7-11(8-15(16)20)12-5-3-4-6-13(12)17/h3-6,11H,7-8H2,1-2H3
InChIKeyRBOYSWOSVOWRTE-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.66
Rot. Bonds1

About 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one

7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 18317464) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID18317464
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(C)c2c(n1)CC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C16H15ClN2O/c1-9-16-14(19-10(2)18-9)7-11(8-15(16)20)12-5-3-4-6-13(12)17/h3-6,11H,7-8H2,1-2H3
InChIKeyRBOYSWOSVOWRTE-UHFFFAOYSA-N
XLogP3.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 18317464) is 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(C)c2c(n1)CC(c1ccccc1Cl)CC2=O.
What is the InChIKey of 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is RBOYSWOSVOWRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-16-14(19-10(2)18-9)7-11(8-15(16)20)12-5-3-4-6-13(12)17/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 286.76 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 18317464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).