5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine

C21H17ClN4O — CID 137430691

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C21H17ClN4O/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26)
InChIKeyPFYZFDHRSJIMPL-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.37
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 137430691) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID137430691
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C21H17ClN4O/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26)
InChIKeyPFYZFDHRSJIMPL-UHFFFAOYSA-N
XLogP5.37
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.37
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)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 137430691) is 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is PFYZFDHRSJIMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 376.85 g/mol, XLogP of 5.37, 3 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)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137430691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).