5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C16H15ClN2O — CID 164880782

IUPAC5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c1
InChIInChI=1S/C16H15ClN2O/c1-9-6-7-10(2)11(8-9)15-18-13-5-3-4-12(17)14(13)16(20)19-15/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyACSIKXIGGISTLO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.81
Rot. Bonds1

About 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one

5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 164880782) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID164880782
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1ccc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c1
InChIInChI=1S/C16H15ClN2O/c1-9-6-7-10(2)11(8-9)15-18-13-5-3-4-12(17)14(13)16(20)19-15/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyACSIKXIGGISTLO-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880777
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane
CID 164880747
2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine
CID 59583382
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880766
(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one
CID 6976487
1,3-dichloro-2-(2,5-dimethylphenyl)benzene
CID 66641397
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 865092
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3997786
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 164880782) is 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one is Cc1ccc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c1.
What is the InChIKey of 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ACSIKXIGGISTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-6-7-10(2)11(8-9)15-18-13-5-3-4-12(17)14(13)16(20)19-15/h3-8,15,18H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 286.76 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 164880782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).