cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

C126H108Cl5N23O12 — CID 157389211

About cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 157389211) has the molecular formula C126H108Cl5N23O12 and a molecular weight of 2313.66 g/mol. Its IUPAC name is cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
• PubChem CID: 157389211
• Molecular Formula: C126H108Cl5N23O12
• Molecular Weight: 2313.66 g/mol
• Exact Mass: 2309.70
• IUPAC Name: cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
• SMILES: CC1CC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CN1C.CN1CCC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1COC1
• InChI: InChI=1S/C26H22ClN5O3.C26H24ClN5O2.C26H23ClN4O2.C25H22ClN5O2.C23H17ClN4O3/c1-32-11-9-18(14-20(32)33)35-26(34)24-25(28)31-22(15-6-3-2-4-7-15)23(30-24)17-12-16-8-5-10-29-21(16)19(27)13-17;1-15-11-19(14-32(15)2)34-26(33)24-25(28)31-22(16-7-4-3-5-8-16)23(30-24)18-12-17-9-6-10-29-21(17)20(27)13-18;27-20-15-18(14-17-10-7-13-29-21(17)20)23-22(16-8-3-1-4-9-16)31-25(28)24(30-23)26(32)33-19-11-5-2-6-12-19;1-31-11-9-18(14-31)33-25(32)23-24(27)30-21(15-6-3-2-4-7-15)22(29-23)17-12-16-8-5-10-28-20(16)19(26)13-17;24-17-10-15(9-14-7-4-8-26-18(14)17)20-19(13-5-2-1-3-6-13)28-22(25)21(27-20)23(29)31-16-11-30-12-16/h2-8,10,12-13,18H,9,11,14H2,1H3,(H2,28,31);3-10,12-13,15,19H,11,14H2,1-2H3,(H2,28,31);1,3-4,7-10,13-15,19H,2,5-6,11-12H2,(H2,28,31);2-8,10,12-13,18H,9,11,14H2,1H3,(H2,27,30);1-10,16H,11-12H2,(H2,25,28)
• InChIKey: BLUIOVHAGBNRDR-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 490.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.66
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?

The IUPAC name of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (CID 157389211) is cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.

What is the SMILES notation for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?

The canonical SMILES for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is CC1CC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CN1C.CN1CCC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1COC1.

What is the InChIKey of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?

The InChIKey is BLUIOVHAGBNRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3.C26H24ClN5O2.C26H23ClN4O2.C25H22ClN5O2.C23H17ClN4O3/c1-32-11-9-18(14-20(32)33)35-26(34)24-25(28)31-22(15-6-3-2-4-7-15)23(30-24)17-12-16-8-5-10-29-21(16)19(27)13-17;1-15-11-19(14-32(15)2)34-26(33)24-25(28)31-22(16-7-4-3-5-8-16)23(30-24)18-12-17-9-6-10-29-21(17)20(27)13-18;27-20-15-18(14-17-10-7-13-29-21(17)20)23-22(16-8-3-1-4-9-16)31-25(28)24(30-23)26(32)33-19-11-5-2-6-12-19;1-31-11-9-18(14-31)33-25(32)23-24(27)30-21(15-6-3-2-4-7-15)22(29-23)17-12-16-8-5-10-28-20(16)19(26)13-17;24-17-10-15(9-14-7-4-8-26-18(14)17)20-19(13-5-2-1-3-6-13)28-22(25)21(27-20)23(29)31-16-11-30-12-16/h2-8,10,12-13,18H,9,11,14H2,1H3,(H2,28,31);3-10,12-13,15,19H,11,14H2,1-2H3,(H2,28,31);1,3-4,7-10,13-15,19H,2,5-6,11-12H2,(H2,28,31);2-8,10,12-13,18H,9,11,14H2,1H3,(H2,27,30);1-10,16H,11-12H2,(H2,25,28).

What are the key properties of cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?

cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 2313.66 g/mol, XLogP of 23.91, 20 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 157389211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).