5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine

C20H17ClN6 — CID 137430788

IUPAC5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine
SMILESC/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C20H17ClN6/c1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13/h3-11H,1-2H3,(H2,22,25)/b5-3+
InChIKeyXEYHVJVTMAPLFM-HWKANZROSA-N
MW376.85 g/mol
LogP4.36
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine (PubChem CID 137430788) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine
PubChem CID137430788
Molecular FormulaC20H17ClN6
Molecular Weight376.85 g/mol
Exact Mass376.12
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine
SMILESC/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C20H17ClN6/c1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13/h3-11H,1-2H3,(H2,22,25)/b5-3+
InChIKeyXEYHVJVTMAPLFM-HWKANZROSA-N
XLogP4.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.36
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)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine (CID 137430788) is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine is C/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The InChIKey is XEYHVJVTMAPLFM-HWKANZROSA-N. The full InChI is InChI=1S/C20H17ClN6/c1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13/h3-11H,1-2H3,(H2,22,25)/b5-3+.
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine has a molecular weight of 376.85 g/mol, XLogP of 4.36, 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)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine is sourced from PubChem (CID 137430788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).