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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Related Compounds

(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
8-chloro-5,5-dimethyl-6H-tetrazolo[1,5-c]quinazoline
CID 139080100
1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2,2-dimethyl-1,3-diazinane-4,6-dione
CID 150435671
7-bromo-3-(4-chlorophenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one;4-methylbenzenesulfonic acid
CID 118575243
7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 45113305
5-chloro-2,3,3-trimethylisoindol-1-one
CID 102337025
6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84637977
(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 919493
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
8-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
CID 3048696
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767

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).