4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine

C126H118Cl5N23O6 — CID 159923015

IUPAC4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
SMILESCN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.CN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCN1CCCC1
InChIInChI=1S/2C26H25ClN4O.C25H22ClN5O2.C25H24ClN5O.C24H22ClN5O/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-13-15(10-20(31)32)14-33-25-24(27)29-22(16-6-3-2-4-7-16)23(30-25)18-11-17-8-5-9-28-21(17)19(26)12-18;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;1-30-12-15(13-30)14-31-24-23(26)28-21(16-6-3-2-4-7-16)22(29-24)18-10-17-8-5-9-27-20(17)19(25)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-9,11-12,15H,10,13-14H2,1H3,(H2,27,29);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);2-11,15H,12-14H2,1H3,(H2,26,28)
InChIKeyNYQQEEFZBVDJAF-UHFFFAOYSA-N
MW2227.75 g/mol
LogP27.16
Rot. Bonds27

About 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine

4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine (PubChem CID 159923015) has the molecular formula C126H118Cl5N23O6 and a molecular weight of 2227.75 g/mol. Its IUPAC name is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine.

Molecular Properties

Compound Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
PubChem CID159923015
Molecular FormulaC126H118Cl5N23O6
Molecular Weight2227.75 g/mol
Exact Mass2223.81
IUPAC Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
SMILESCN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.CN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCN1CCCC1
InChIInChI=1S/2C26H25ClN4O.C25H22ClN5O2.C25H24ClN5O.C24H22ClN5O/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-13-15(10-20(31)32)14-33-25-24(27)29-22(16-6-3-2-4-7-16)23(30-25)18-11-17-8-5-9-28-21(17)19(26)12-18;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;1-30-12-15(13-30)14-31-24-23(26)28-21(16-6-3-2-4-7-16)22(29-24)18-10-17-8-5-9-27-20(17)19(25)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-9,11-12,15H,10,13-14H2,1H3,(H2,27,29);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);2-11,15H,12-14H2,1H3,(H2,26,28)
InChIKeyNYQQEEFZBVDJAF-UHFFFAOYSA-N
XLogP27.16
TPSA396.39 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.75
LogP ≤ 527.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine with MolForge

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Related Compounds

4-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one
CID 137430105
4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 137430312
5-[3-[3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-(diethylaminomethoxy)pyrazin-2-yl]phenyl]-8-chloroquinolin-6-yl]-3-(cyclopropylmethoxy)-6-phenylpyrazin-2-amine
CID 156449941
5-[3-[[3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-(cyclohexylmethoxy)pyrazin-2-yl]pyrazol-1-yl]methyl]-8-chloroquinolin-6-yl]-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine
CID 156449996
4-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-phenoxy-6-phenylpyrazin-2-amine
CID 158163740
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine
CID 160589165
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(cyclopentylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 160784362
5-(8-Chloroquinolin-6-yl)-3-cyclobutyloxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-propan-2-yloxypyrazin-2-amine
CID 161261432
3-[2-(Azetidin-1-yl)ethoxy]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)methoxy]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine
CID 161404092

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?
The IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine (CID 159923015) is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine.
What is the SMILES notation for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?
The canonical SMILES for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine is CN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.CN1CC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCN1CCCC1.
What is the InChIKey of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?
The InChIKey is NYQQEEFZBVDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25ClN4O.C25H22ClN5O2.C25H24ClN5O.C24H22ClN5O/c27-21-15-20(14-19-12-7-13-29-22(19)21)24-23(18-10-5-2-6-11-18)30-25(28)26(31-24)32-16-17-8-3-1-4-9-17;27-21-16-20(15-19-11-6-13-29-22(19)21)24-23(18-9-2-1-3-10-18)30-25(28)26(31-24)32-14-12-17-7-4-5-8-17;1-31-13-15(10-20(31)32)14-33-25-24(27)29-22(16-6-3-2-4-7-16)23(30-25)18-11-17-8-5-9-28-21(17)19(26)12-18;26-20-16-19(15-18-9-6-10-28-21(18)20)23-22(17-7-2-1-3-8-17)29-24(27)25(30-23)32-14-13-31-11-4-5-12-31;1-30-12-15(13-30)14-31-24-23(26)28-21(16-6-3-2-4-7-16)22(29-24)18-10-17-8-5-9-27-20(17)19(25)11-18/h2,5-7,10-15,17H,1,3-4,8-9,16H2,(H2,28,30);1-3,6,9-11,13,15-17H,4-5,7-8,12,14H2,(H2,28,30);2-9,11-12,15H,10,13-14H2,1H3,(H2,27,29);1-3,6-10,15-16H,4-5,11-14H2,(H2,27,29);2-11,15H,12-14H2,1H3,(H2,26,28).
What are the key properties of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine?
4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine has a molecular weight of 2227.75 g/mol, XLogP of 27.16, 27 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-1-methylpyrrolidin-2-one;5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine is sourced from PubChem (CID 159923015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).