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

C16H14Cl2N2O — CID 11209429

IUPAC7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one
SMILESCC1(C)Nc2cc(Cl)ccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)19-14-9-11(18)5-8-13(14)15(21)20(16)12-6-3-10(17)4-7-12/h3-9,19H,1-2H3
InChIKeyFEZFBYBCXWAQMR-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.80
Rot. Bonds1

About 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one

7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one (PubChem CID 11209429) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one
PubChem CID11209429
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one
SMILESCC1(C)Nc2cc(Cl)ccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)19-14-9-11(18)5-8-13(14)15(21)20(16)12-6-3-10(17)4-7-12/h3-9,19H,1-2H3
InChIKeyFEZFBYBCXWAQMR-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one (CID 11209429) is 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one is CC1(C)Nc2cc(Cl)ccc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The InChIKey is FEZFBYBCXWAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-16(2)19-14-9-11(18)5-8-13(14)15(21)20(16)12-6-3-10(17)4-7-12/h3-9,19H,1-2H3.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one?
7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one has a molecular weight of 321.21 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-chlorophenyl)-2,2-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 11209429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).