5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C19H17ClN6 — CID 137430799

IUPAC5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C19H17ClN6/c1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h4-10H,3H2,1-2H3,(H2,21,24)
InChIKeyFGURKDNJNVNZTD-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.89
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430799) has the molecular formula C19H17ClN6 and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430799
Molecular FormulaC19H17ClN6
Molecular Weight364.84 g/mol
Exact Mass364.12
IUPAC Name5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C19H17ClN6/c1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h4-10H,3H2,1-2H3,(H2,21,24)
InChIKeyFGURKDNJNVNZTD-UHFFFAOYSA-N
XLogP3.89
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430799) is 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is FGURKDNJNVNZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6/c1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h4-10H,3H2,1-2H3,(H2,21,24).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 364.84 g/mol, XLogP of 3.89, 3 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-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).