5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

C18H13ClN4O — CID 137423947

IUPAC5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C18H13ClN4O/c1-10-4-5-14(24-10)18-17(22-9-15(20)23-18)12-7-11-3-2-6-21-16(11)13(19)8-12/h2-9H,1H3,(H2,20,23)
InChIKeyCAVKTKGYUXBJMI-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.50
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 137423947) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID137423947
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C18H13ClN4O/c1-10-4-5-14(24-10)18-17(22-9-15(20)23-18)12-7-11-3-2-6-21-16(11)13(19)8-12/h2-9H,1H3,(H2,20,23)
InChIKeyCAVKTKGYUXBJMI-UHFFFAOYSA-N
XLogP4.50
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 137423947) is 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is CAVKTKGYUXBJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-10-4-5-14(24-10)18-17(22-9-15(20)23-18)12-7-11-3-2-6-21-16(11)13(19)8-12/h2-9H,1H3,(H2,20,23).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 336.78 g/mol, XLogP of 4.50, 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-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137423947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).