6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine

C21H13ClN4O — CID 137431077

IUPAC6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C21H13ClN4O/c22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17/h1-11H,(H2,23,26)
InChIKeyNXPOWKXCQPQECO-UHFFFAOYSA-N
MW372.82 g/mol
LogP5.34
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine

6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine (PubChem CID 137431077) has the molecular formula C21H13ClN4O and a molecular weight of 372.82 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
PubChem CID137431077
Molecular FormulaC21H13ClN4O
Molecular Weight372.82 g/mol
Exact Mass372.08
IUPAC Name6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C21H13ClN4O/c22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17/h1-11H,(H2,23,26)
InChIKeyNXPOWKXCQPQECO-UHFFFAOYSA-N
XLogP5.34
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.82
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine (CID 137431077) is 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The InChIKey is NXPOWKXCQPQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4O/c22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17/h1-11H,(H2,23,26).
What are the key properties of 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine has a molecular weight of 372.82 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 137431077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).