5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine

C25H17ClN4O — CID 137430320

IUPAC5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1ccccc1
InChIInChI=1S/C25H17ClN4O/c26-20-15-18(14-17-10-7-13-28-21(17)20)23-22(16-8-3-1-4-9-16)29-24(27)25(30-23)31-19-11-5-2-6-12-19/h1-15H,(H2,27,29)
InChIKeyMYZQLMVWTOHVFE-UHFFFAOYSA-N
MW424.89 g/mol
LogP6.39
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine (PubChem CID 137430320) has the molecular formula C25H17ClN4O and a molecular weight of 424.89 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
PubChem CID137430320
Molecular FormulaC25H17ClN4O
Molecular Weight424.89 g/mol
Exact Mass424.11
IUPAC Name5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1ccccc1
InChIInChI=1S/C25H17ClN4O/c26-20-15-18(14-17-10-7-13-28-21(17)20)23-22(16-8-3-1-4-9-16)29-24(27)25(30-23)31-19-11-5-2-6-12-19/h1-15H,(H2,27,29)
InChIKeyMYZQLMVWTOHVFE-UHFFFAOYSA-N
XLogP6.39
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 56.39
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-phenoxy-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine (CID 137430320) is 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1ccccc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine?
The InChIKey is MYZQLMVWTOHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O/c26-20-15-18(14-17-10-7-13-28-21(17)20)23-22(16-8-3-1-4-9-16)29-24(27)25(30-23)31-19-11-5-2-6-12-19/h1-15H,(H2,27,29).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine has a molecular weight of 424.89 g/mol, XLogP of 6.39, 4 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-phenoxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).