2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline

C17H19ClN2O2S2 — CID 133349219

IUPAC2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline
SMILESCS(=O)(=O)CCSc1nc(-c2cccc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C17H19ClN2O2S2/c1-24(21,22)10-9-23-17-14-7-2-3-8-15(14)19-16(20-17)12-5-4-6-13(18)11-12/h4-6,11H,2-3,7-10H2,1H3
InChIKeyWHIGBINTRQMDBL-UHFFFAOYSA-N
MW382.94 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline

2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 133349219) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID133349219
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC Name2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline
SMILESCS(=O)(=O)CCSc1nc(-c2cccc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C17H19ClN2O2S2/c1-24(21,22)10-9-23-17-14-7-2-3-8-15(14)19-16(20-17)12-5-4-6-13(18)11-12/h4-6,11H,2-3,7-10H2,1H3
InChIKeyWHIGBINTRQMDBL-UHFFFAOYSA-N
XLogP3.81
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline 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

N-[2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]methanesulfonamide
CID 133349112
2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 15994077
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
1-(2,4-dichlorophenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
CID 22331242
2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethanol
CID 133349066
N-[2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]acetamide
CID 133349083
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675
2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 15886985
3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 90338520
2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 166205511
4-(3-chlorophenyl)-2-(1-methylcyclopentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 154465607
4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
CID 133349338

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline (CID 133349219) is 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline is CS(=O)(=O)CCSc1nc(-c2cccc(Cl)c2)nc2c1CCCC2.
What is the InChIKey of 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is WHIGBINTRQMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c1-24(21,22)10-9-23-17-14-7-2-3-8-15(14)19-16(20-17)12-5-4-6-13(18)11-12/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 382.94 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133349219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).