5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine

C17H12ClN5 — CID 137430161

IUPAC5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2cccc2)n1
InChIInChI=1S/C17H12ClN5/c18-13-9-12(8-11-4-3-5-20-15(11)13)16-17(22-14(19)10-21-16)23-6-1-2-7-23/h1-10H,(H2,19,22)
InChIKeyIXFUEWXTDBZLPZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.72
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine (PubChem CID 137430161) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine
PubChem CID137430161
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2cccc2)n1
InChIInChI=1S/C17H12ClN5/c18-13-9-12(8-11-4-3-5-20-15(11)13)16-17(22-14(19)10-21-16)23-6-1-2-7-23/h1-10H,(H2,19,22)
InChIKeyIXFUEWXTDBZLPZ-UHFFFAOYSA-N
XLogP3.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
8-chloroquinolin-6-amine
CID 53435994
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195
5-quinolin-6-yl-6-(triazol-2-yl)pyrazin-2-amine
CID 137431097
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684
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 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine (CID 137430161) is 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2cccc2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine?
The InChIKey is IXFUEWXTDBZLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-13-9-12(8-11-4-3-5-20-15(11)13)16-17(22-14(19)10-21-16)23-6-1-2-7-23/h1-10H,(H2,19,22).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-pyrrol-1-ylpyrazin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 3.72, 2 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)-6-pyrrol-1-ylpyrazin-2-amine is sourced from PubChem (CID 137430161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).