5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine

C25H18ClN5O — CID 137431319

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1
InChIInChI=1S/C25H18ClN5O/c26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,15H2,(H2,27,30)
InChIKeySLXNZZMCSWUZDD-UHFFFAOYSA-N
MW439.91 g/mol
LogP5.57
Rot. Bonds5

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine (PubChem CID 137431319) has the molecular formula C25H18ClN5O and a molecular weight of 439.91 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine
PubChem CID137431319
Molecular FormulaC25H18ClN5O
Molecular Weight439.91 g/mol
Exact Mass439.12
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1
InChIInChI=1S/C25H18ClN5O/c26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,15H2,(H2,27,30)
InChIKeySLXNZZMCSWUZDD-UHFFFAOYSA-N
XLogP5.57
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.91
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(3-Chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 54670674
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethoxy)pyrazin-2-amine
CID 137430243
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430568
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
CID 137431321
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 137431326
3-[2-(5-Fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604332
3-[2-(5-Fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604437
5-(8-Chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine
CID 154604587
3-[2-(3-Fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604769
3-[2-(3-Fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604807
5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[(Z)-3-methyliminohept-4-en-2-yl]oxypyrazin-2-amine
CID 154656265
2-[6-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propan-2-ol
CID 154658145

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine (CID 137431319) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine?
The InChIKey is SLXNZZMCSWUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O/c26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,15H2,(H2,27,30).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine has a molecular weight of 439.91 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 137431319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).