1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone

C152H132Cl6N30O7 — CID 159489831

IUPAC1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone
SMILESCN1CCN(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccn(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCOCC1
InChIInChI=1S/C27H25ClN4O.C26H20ClN5O.C25H23ClN6O.C25H22ClN5O2.C25H22ClN5O.C24H20ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-27(29)26(31-25)22(33)14-17-8-3-1-4-9-17;1-16-9-11-32(14-16)15-21(33)25-26(28)31-23(17-6-3-2-4-7-17)24(30-25)19-12-18-8-5-10-29-22(18)20(27)13-19;1-31-10-11-32(15-31)14-20(33)24-25(27)30-22(16-6-3-2-4-7-16)23(29-24)18-12-17-8-5-9-28-21(17)19(26)13-18;26-19-14-18(13-17-7-4-8-28-21(17)19)23-22(16-5-2-1-3-6-16)30-25(27)24(29-23)20(32)15-31-9-11-33-12-10-31;26-19-14-18(13-17-9-6-10-28-21(17)19)23-22(16-7-2-1-3-8-16)30-25(27)24(29-23)20(32)15-31-11-4-5-12-31;25-18-13-17(12-16-8-4-9-27-20(16)18)22-21(15-6-2-1-3-7-15)29-24(26)23(28-22)19(31)14-30-10-5-11-30/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32);2-14H,15H2,1H3,(H2,28,31);2-9,12-13H,10-11,14-15H2,1H3,(H2,27,30);1-8,13-14H,9-12,15H2,(H2,27,30);1-3,6-10,13-14H,4-5,11-12,15H2,(H2,27,30);1-4,6-9,12-13H,5,10-11,14H2,(H2,26,29)
InChIKeyLYAVVHDOMASFKW-UHFFFAOYSA-N
MW2703.65 g/mol
LogP29.78
Rot. Bonds30

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 159489831) has the molecular formula C152H132Cl6N30O7 and a molecular weight of 2703.65 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone
PubChem CID159489831
Molecular FormulaC152H132Cl6N30O7
Molecular Weight2703.65 g/mol
Exact Mass2698.90
IUPAC Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone
SMILESCN1CCN(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccn(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCOCC1
InChIInChI=1S/C27H25ClN4O.C26H20ClN5O.C25H23ClN6O.C25H22ClN5O2.C25H22ClN5O.C24H20ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-27(29)26(31-25)22(33)14-17-8-3-1-4-9-17;1-16-9-11-32(14-16)15-21(33)25-26(28)31-23(17-6-3-2-4-7-17)24(30-25)19-12-18-8-5-10-29-22(18)20(27)13-19;1-31-10-11-32(15-31)14-20(33)24-25(27)30-22(16-6-3-2-4-7-16)23(29-24)18-12-17-8-5-9-28-21(17)19(26)13-18;26-19-14-18(13-17-7-4-8-28-21(17)19)23-22(16-5-2-1-3-6-16)30-25(27)24(29-23)20(32)15-31-9-11-33-12-10-31;26-19-14-18(13-17-9-6-10-28-21(17)19)23-22(16-7-2-1-3-8-16)30-25(27)24(29-23)20(32)15-31-11-4-5-12-31;25-18-13-17(12-16-8-4-9-27-20(16)18)22-21(15-6-2-1-3-7-15)29-24(26)23(28-22)19(31)14-30-10-5-11-30/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32);2-14H,15H2,1H3,(H2,28,31);2-9,12-13H,10-11,14-15H2,1H3,(H2,27,30);1-8,13-14H,9-12,15H2,(H2,27,30);1-3,6-10,13-14H,4-5,11-12,15H2,(H2,27,30);1-4,6-9,12-13H,5,10-11,14H2,(H2,26,29)
InChIKeyLYAVVHDOMASFKW-UHFFFAOYSA-N
XLogP29.78
TPSA520.92 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.65
LogP ≤ 529.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone (CID 159489831) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone is CN1CCN(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.Cc1ccn(CC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)CN1CCOCC1.
What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is LYAVVHDOMASFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O.C26H20ClN5O.C25H23ClN6O.C25H22ClN5O2.C25H22ClN5O.C24H20ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-27(29)26(31-25)22(33)14-17-8-3-1-4-9-17;1-16-9-11-32(14-16)15-21(33)25-26(28)31-23(17-6-3-2-4-7-17)24(30-25)19-12-18-8-5-10-29-22(18)20(27)13-19;1-31-10-11-32(15-31)14-20(33)24-25(27)30-22(16-6-3-2-4-7-16)23(29-24)18-12-17-8-5-9-28-21(17)19(26)13-18;26-19-14-18(13-17-7-4-8-28-21(17)19)23-22(16-5-2-1-3-6-16)30-25(27)24(29-23)20(32)15-31-9-11-33-12-10-31;26-19-14-18(13-17-9-6-10-28-21(17)19)23-22(16-7-2-1-3-8-16)30-25(27)24(29-23)20(32)15-31-11-4-5-12-31;25-18-13-17(12-16-8-4-9-27-20(16)18)22-21(15-6-2-1-3-7-15)29-24(26)23(28-22)19(31)14-30-10-5-11-30/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32);2-14H,15H2,1H3,(H2,28,31);2-9,12-13H,10-11,14-15H2,1H3,(H2,27,30);1-8,13-14H,9-12,15H2,(H2,27,30);1-3,6-10,13-14H,4-5,11-12,15H2,(H2,27,30);1-4,6-9,12-13H,5,10-11,14H2,(H2,26,29).
What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone?
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 2703.65 g/mol, XLogP of 29.78, 30 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(azetidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylimidazolidin-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-morpholin-4-ylethanone;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 159489831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).