5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine

C27H22ClN5O — CID 159655321

IUPAC5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
SMILESCCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C27H22ClN5O/c1-2-21-11-10-17(15-31-21)16-34-27-26(29)32-24(18-7-4-3-5-8-18)25(33-27)20-13-19-9-6-12-30-23(19)22(28)14-20/h3-15H,2,16H2,1H3,(H2,29,32)
InChIKeyMSCFLFDKVNEBBW-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.13
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine (PubChem CID 159655321) has the molecular formula C27H22ClN5O and a molecular weight of 467.96 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
PubChem CID159655321
Molecular FormulaC27H22ClN5O
Molecular Weight467.96 g/mol
Exact Mass467.15
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
SMILESCCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C27H22ClN5O/c1-2-21-11-10-17(15-31-21)16-34-27-26(29)32-24(18-7-4-3-5-8-18)25(33-27)20-13-19-9-6-12-30-23(19)22(28)14-20/h3-15H,2,16H2,1H3,(H2,29,32)
InChIKeyMSCFLFDKVNEBBW-UHFFFAOYSA-N
XLogP6.13
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
CID 154657865
2-[6-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propan-2-ol
CID 154658145
4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 159763296

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine (CID 159655321) is 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine is CCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
The InChIKey is MSCFLFDKVNEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O/c1-2-21-11-10-17(15-31-21)16-34-27-26(29)32-24(18-7-4-3-5-8-18)25(33-27)20-13-19-9-6-12-30-23(19)22(28)14-20/h3-15H,2,16H2,1H3,(H2,29,32).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine has a molecular weight of 467.96 g/mol, XLogP of 6.13, 6 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)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 159655321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).