2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C16H14Cl2N2O — CID 62008465

IUPAC2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2C1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)6-13-12(14(21)7-16)8-19-15(20-13)9-3-10(17)5-11(18)4-9/h3-5,8H,6-7H2,1-2H3
InChIKeyOIJHTDNCZMJPSX-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.61
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 62008465) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID62008465
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2C1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)6-13-12(14(21)7-16)8-19-15(20-13)9-3-10(17)5-11(18)4-9/h3-5,8H,6-7H2,1-2H3
InChIKeyOIJHTDNCZMJPSX-UHFFFAOYSA-N
XLogP4.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79784088
2-(3-bromo-4-chlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 115568165
2-(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007872
7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
CID 104823206
7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
CID 62008080
7,7-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
CID 62008271
2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62083583
2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79713618
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62391065
7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
CID 115528248
2-[(3-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007871
7,7-dimethyl-2-(methylsulfonylmethyl)-6,8-dihydroquinazolin-5-one
CID 62474010

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 62008465) is 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2C1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is OIJHTDNCZMJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-16(2)6-13-12(14(21)7-16)8-19-15(20-13)9-3-10(17)5-11(18)4-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 321.21 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).