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

C24H24ClN5S — CID 137430405

IUPAC5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine
SMILESCCN(CC)CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C24H24ClN5S/c1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18/h5-14H,3-4,15H2,1-2H3,(H2,26,28)
InChIKeyKXLMXFOKTQBYMG-UHFFFAOYSA-N
MW450.01 g/mol
LogP5.99
Rot. Bonds7

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

5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine (PubChem CID 137430405) has the molecular formula C24H24ClN5S and a molecular weight of 450.01 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine
PubChem CID137430405
Molecular FormulaC24H24ClN5S
Molecular Weight450.01 g/mol
Exact Mass449.14
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine
SMILESCCN(CC)CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C24H24ClN5S/c1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18/h5-14H,3-4,15H2,1-2H3,(H2,26,28)
InChIKeyKXLMXFOKTQBYMG-UHFFFAOYSA-N
XLogP5.99
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.01
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(3-Chloro-5-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675303
3-[6-Amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 154604657
5-(8-Chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 137423841
3-[6-Amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
CID 154604502
3-(8-chloroquinolin-2-yl)-5-N-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyridine-2,5-diamine
CID 130227602
5-(8-Chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
CID 137430247
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
CID 137430250
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
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 137430418
5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine
CID 137430425
5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine
CID 137430582

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine (CID 137430405) is 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine is CCN(CC)CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine?
The InChIKey is KXLMXFOKTQBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5S/c1-3-30(4-2)15-31-24-23(26)28-21(16-9-6-5-7-10-16)22(29-24)18-13-17-11-8-12-27-20(17)19(25)14-18/h5-14H,3-4,15H2,1-2H3,(H2,26,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine has a molecular weight of 450.01 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(diethylaminomethylsulfanyl)-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).