[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone

C150H123Cl6N27O7 — CID 158046287

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone
SMILESCN1CCC(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCNC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1
InChIInChI=1S/C27H19ClN4O.C26H23ClN4O.C25H22ClN5O.C24H20ClN5O2.C24H20ClN5O.C24H19ClN4O/c1-16-9-11-18(12-10-16)26(33)25-27(29)32-23(17-6-3-2-4-7-17)24(31-25)20-14-19-8-5-13-30-22(19)21(28)15-20;27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17;1-31-11-9-17(14-31)24(32)23-25(27)30-21(15-6-3-2-4-7-15)22(29-23)18-12-16-8-5-10-28-20(16)19(26)13-18;25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18;25-18-12-17(11-15-7-4-9-28-19(15)18)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)16-8-10-27-13-16;25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)29-24(26)22(28-21)23(30)15-8-4-9-15/h2-15H,1H3,(H2,29,32);1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31);2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,30);1-8,11-12,18,27H,9-10,13H2,(H2,26,30);1-7,9,11-12,16,27H,8,10,13H2,(H2,26,30);1-3,5-7,10-13,15H,4,8-9H2,(H2,26,29)
InChIKeyFIYJTVRBAJGUGE-UHFFFAOYSA-N
MW2628.53 g/mol
LogP30.95
Rot. Bonds24

About [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone

[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone (PubChem CID 158046287) has the molecular formula C150H123Cl6N27O7 and a molecular weight of 2628.53 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone
PubChem CID158046287
Molecular FormulaC150H123Cl6N27O7
Molecular Weight2628.53 g/mol
Exact Mass2623.82
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone
SMILESCN1CCC(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCNC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1
InChIInChI=1S/C27H19ClN4O.C26H23ClN4O.C25H22ClN5O.C24H20ClN5O2.C24H20ClN5O.C24H19ClN4O/c1-16-9-11-18(12-10-16)26(33)25-27(29)32-23(17-6-3-2-4-7-17)24(31-25)20-14-19-8-5-13-30-22(19)21(28)15-20;27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17;1-31-11-9-17(14-31)24(32)23-25(27)30-21(15-6-3-2-4-7-15)22(29-23)18-12-16-8-5-10-28-20(16)19(26)13-18;25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18;25-18-12-17(11-15-7-4-9-28-19(15)18)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)16-8-10-27-13-16;25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)29-24(26)22(28-21)23(30)15-8-4-9-15/h2-15H,1H3,(H2,29,32);1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31);2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,30);1-8,11-12,18,27H,9-10,13H2,(H2,26,30);1-7,9,11-12,16,27H,8,10,13H2,(H2,26,30);1-3,5-7,10-13,15H,4,8-9H2,(H2,26,29)
InChIKeyFIYJTVRBAJGUGE-UHFFFAOYSA-N
XLogP30.95
TPSA527.09 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002628.53
LogP ≤ 530.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone (CID 158046287) is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone is CN1CCC(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccc(C(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCNC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1COCCN1.
What is the InChIKey of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is FIYJTVRBAJGUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O.C26H23ClN4O.C25H22ClN5O.C24H20ClN5O2.C24H20ClN5O.C24H19ClN4O/c1-16-9-11-18(12-10-16)26(33)25-27(29)32-23(17-6-3-2-4-7-17)24(31-25)20-14-19-8-5-13-30-22(19)21(28)15-20;27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17;1-31-11-9-17(14-31)24(32)23-25(27)30-21(15-6-3-2-4-7-15)22(29-23)18-12-16-8-5-10-28-20(16)19(26)13-18;25-17-12-16(11-15-7-4-8-28-19(15)17)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)18-13-32-10-9-27-18;25-18-12-17(11-15-7-4-9-28-19(15)18)21-20(14-5-2-1-3-6-14)30-24(26)22(29-21)23(31)16-8-10-27-13-16;25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)29-24(26)22(28-21)23(30)15-8-4-9-15/h2-15H,1H3,(H2,29,32);1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31);2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,30);1-8,11-12,18,27H,9-10,13H2,(H2,26,30);1-7,9,11-12,16,27H,8,10,13H2,(H2,26,30);1-3,5-7,10-13,15H,4,8-9H2,(H2,26,29).
What are the key properties of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone?
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 2628.53 g/mol, XLogP of 30.95, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclobutylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(4-methylphenyl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-(1-methylpyrrolidin-3-yl)methanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 158046287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).