6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole

C35H28Cl3N11 — CID 161236988

IUPAC6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole
SMILESCC1=CCN=C1.Cc1cnn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1
InChIInChI=1S/C17H13ClN6.C13H8Cl2N4.C5H7N/c1-10-7-22-24(9-10)17-16(21-8-14(19)23-17)12-5-11-3-2-4-20-15(11)13(18)6-12;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;1-5-2-3-6-4-5/h2-9H,1H3,(H2,19,23);1-6H,(H2,16,19);2,4H,3H2,1H3
InChIKeyUZMUMKWLLLNHQG-UHFFFAOYSA-N
MW709.05 g/mol
LogP8.02
Rot. Bonds3

About 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole

6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole (PubChem CID 161236988) has the molecular formula C35H28Cl3N11 and a molecular weight of 709.05 g/mol. Its IUPAC name is 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole.

Molecular Properties

Compound Name6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole
PubChem CID161236988
Molecular FormulaC35H28Cl3N11
Molecular Weight709.05 g/mol
Exact Mass707.16
IUPAC Name6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole
SMILESCC1=CCN=C1.Cc1cnn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1
InChIInChI=1S/C17H13ClN6.C13H8Cl2N4.C5H7N/c1-10-7-22-24(9-10)17-16(21-8-14(19)23-17)12-5-11-3-2-4-20-15(11)13(18)6-12;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;1-5-2-3-6-4-5/h2-9H,1H3,(H2,19,23);1-6H,(H2,16,19);2,4H,3H2,1H3
InChIKeyUZMUMKWLLLNHQG-UHFFFAOYSA-N
XLogP8.02
TPSA159.56 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.05
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine
CID 137430161
1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one
CID 137431429
5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 137423726
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 160738845
3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 159934281
1-(6-amino-3-quinolin-6-ylpyrazin-2-yl)pyrrolidin-2-one;6-chloro-5-quinolin-6-ylpyrazin-2-amine;cyclopentanone
CID 161156664
5-quinolin-6-yl-6-(triazol-2-yl)pyrazin-2-amine
CID 137431097
8-chloroquinolin-6-amine
CID 53435994
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole?
The IUPAC name of 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole (CID 161236988) is 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole.
What is the SMILES notation for 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole?
The canonical SMILES for 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole is CC1=CCN=C1.Cc1cnn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole?
The InChIKey is UZMUMKWLLLNHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6.C13H8Cl2N4.C5H7N/c1-10-7-22-24(9-10)17-16(21-8-14(19)23-17)12-5-11-3-2-4-20-15(11)13(18)6-12;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;1-5-2-3-6-4-5/h2-9H,1H3,(H2,19,23);1-6H,(H2,16,19);2,4H,3H2,1H3.
What are the key properties of 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole?
6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole has a molecular weight of 709.05 g/mol, XLogP of 8.02, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-methylpyrazol-1-yl)pyrazin-2-amine;4-methyl-2H-pyrrole is sourced from PubChem (CID 161236988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).