3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one

C15H12Cl2N2O — CID 11771211

IUPAC3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccccc2C(=O)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-9-18-13-8-3-2-5-10(13)15(20)19(9)14-11(16)6-4-7-12(14)17/h2-9,18H,1H3
InChIKeyLZKMLLYSBXYWFM-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.41
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one

3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 11771211) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one
PubChem CID11771211
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccccc2C(=O)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-9-18-13-8-3-2-5-10(13)15(20)19(9)14-11(16)6-4-7-12(14)17/h2-9,18H,1H3
InChIKeyLZKMLLYSBXYWFM-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-1,2-dihydroquinazolin-4-one
CID 126639334
(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673060
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 7327692
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
2-tert-butyl-8-chloro-3-phenyl-1,2-dihydroquinazolin-4-one
CID 102290898
7-chloro-1-piperidin-4-ylindole-2,3-dione
CID 84639674
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4044354
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
6-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 72556320

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one (CID 11771211) is 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one is CC1Nc2ccccc2C(=O)N1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LZKMLLYSBXYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-9-18-13-8-3-2-5-10(13)15(20)19(9)14-11(16)6-4-7-12(14)17/h2-9,18H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one?
3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 307.18 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 11771211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).