5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine

C23H19ClN4S — CID 137430407

IUPAC5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1
InChIInChI=1S/C23H19ClN4S/c24-18-12-17(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/h1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyOWXIQDMPCHAUBO-UHFFFAOYSA-N
MW418.95 g/mol
LogP6.10
Rot. Bonds5

About 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine (PubChem CID 137430407) has the molecular formula C23H19ClN4S and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
PubChem CID137430407
Molecular FormulaC23H19ClN4S
Molecular Weight418.95 g/mol
Exact Mass418.10
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1
InChIInChI=1S/C23H19ClN4S/c24-18-12-17(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/h1-7,10-12,14H,8-9,13H2,(H2,25,27)
InChIKeyOWXIQDMPCHAUBO-UHFFFAOYSA-N
XLogP6.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137431256
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 137431848
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine (CID 137430407) is 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1SCC1CC1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine?
The InChIKey is OWXIQDMPCHAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4S/c24-18-12-17(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/h1-7,10-12,14H,8-9,13H2,(H2,25,27).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine has a molecular weight of 418.95 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).