6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine

C20H12ClN5O — CID 137431415

IUPAC6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2nc3ccccc3o2)n1
InChIInChI=1S/C20H12ClN5O/c21-13-9-12(8-11-4-3-7-23-17(11)13)18-19(26-16(22)10-24-18)20-25-14-5-1-2-6-15(14)27-20/h1-10H,(H2,22,26)
InChIKeyQZDWYAWBUBZRNY-UHFFFAOYSA-N
MW373.80 g/mol
LogP4.74
Rot. Bonds2

About 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine

6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine (PubChem CID 137431415) has the molecular formula C20H12ClN5O and a molecular weight of 373.80 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
PubChem CID137431415
Molecular FormulaC20H12ClN5O
Molecular Weight373.80 g/mol
Exact Mass373.07
IUPAC Name6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2nc3ccccc3o2)n1
InChIInChI=1S/C20H12ClN5O/c21-13-9-12(8-11-4-3-7-23-17(11)13)18-19(26-16(22)10-24-18)20-25-14-5-1-2-6-15(14)27-20/h1-10H,(H2,22,26)
InChIKeyQZDWYAWBUBZRNY-UHFFFAOYSA-N
XLogP4.74
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine (CID 137431415) is 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2nc3ccccc3o2)n1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
The InChIKey is QZDWYAWBUBZRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5O/c21-13-9-12(8-11-4-3-7-23-17(11)13)18-19(26-16(22)10-24-18)20-25-14-5-1-2-6-15(14)27-20/h1-10H,(H2,22,26).
What are the key properties of 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine?
6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine has a molecular weight of 373.80 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 137431415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).