5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine

C124H114Cl5N21S5 — CID 157476093

IUPAC5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCC1CCCC1
InChIInChI=1S/2C26H25ClN4S.C25H24ClN5S.C24H21ClN4S.C23H19ClN4S/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-11-9-16(14-31)15-32-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-12-18-8-5-10-28-21(18)20(26)13-19;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,27,29);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyBVPLIWHSUYMIAL-UHFFFAOYSA-N
MW2236.02 g/mol
LogP32.75
Rot. Bonds26

About 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine (PubChem CID 157476093) has the molecular formula C124H114Cl5N21S5 and a molecular weight of 2236.02 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
PubChem CID157476093
Molecular FormulaC124H114Cl5N21S5
Molecular Weight2236.02 g/mol
Exact Mass2231.66
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCC1CCCC1
InChIInChI=1S/2C26H25ClN4S.C25H24ClN5S.C24H21ClN4S.C23H19ClN4S/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-11-9-16(14-31)15-32-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-12-18-8-5-10-28-21(18)20(26)13-19;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,27,29);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyBVPLIWHSUYMIAL-UHFFFAOYSA-N
XLogP32.75
TPSA326.69 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.02
LogP ≤ 532.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine 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

5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137430372
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430380
3-(Azetidin-1-ylmethylsulfanyl)-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(4-methylpiperazin-1-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 160596056
5-(8-Chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 137430239
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine
CID 137430379
5-(8-Chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430401
5-(8-Chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430405
5-(8-Chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430406
5-(8-Chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
5-(8-Chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430408
5-(8-Chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine
CID 137430409
5-(8-Chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430410

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine (CID 157476093) is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine is CN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCCC1CCCC1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The InChIKey is BVPLIWHSUYMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25ClN4S.C25H24ClN5S.C24H21ClN4S.C23H19ClN4S/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-11-9-16(14-31)15-32-25-24(27)29-22(17-6-3-2-4-7-17)23(30-25)19-12-18-8-5-10-28-21(18)20(26)13-19;25-19-13-18(12-17-10-5-11-27-20(17)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)30-14-15-6-4-7-15;24-18-12-17(11-16-7-4-10-26-19(16)18)21-20(15-5-2-1-3-6-15)27-22(25)23(28-21)29-13-14-8-9-14/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H2,27,29);1-3,5,8-13,15H,4,6-7,14H2,(H2,26,28);1-7,10-12,14H,8-9,13H2,(H2,25,27).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine has a molecular weight of 2236.02 g/mol, XLogP of 32.75, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpyrrolidin-3-yl)methylsulfanyl]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 157476093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).