1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide

C111H85Cl4F10N15O16S4 — CID 161189200

About 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide

1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide (PubChem CID 161189200) has the molecular formula C111H85Cl4F10N15O16S4 and a molecular weight of 2345.05 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
• PubChem CID: 161189200
• Molecular Formula: C111H85Cl4F10N15O16S4
• Molecular Weight: 2345.05 g/mol
• Exact Mass: 2341.38
• IUPAC Name: 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
• SMILES: CC(C)S(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2cc(C(F)(F)F)c(F)cc2n1Cc1cc2ccccc2nc1Cl.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl.Cc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(=O)(=O)N(C)C)n2Cc1cc2ccccc2nc1Cl.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl
• InChI: InChI=1S/C29H22ClF4N3O4S.C28H20ClF3N4O4S.C28H25ClN4O4S.C26H18ClF3N4O4S/c1-15(2)42(40,41)36-28(39)26-25(18-8-4-6-10-24(18)38)19-12-20(29(32,33)34)21(31)13-23(19)37(26)14-17-11-16-7-3-5-9-22(16)35-27(17)30;29-25-16(12-15-4-1-2-6-21(15)34-25)14-36-22-10-7-17(28(30,31)32)13-20(22)23(19-5-3-11-33-26(19)37)24(36)27(38)35-41(39,40)18-8-9-18;1-17-12-13-23-21(14-17)25(20-9-5-7-11-24(20)34)26(28(35)31-38(36,37)32(2)3)33(23)16-19-15-18-8-4-6-10-22(18)30-27(19)29;1-39(37,38)33-25(36)22-21(17-6-4-10-31-24(17)35)18-12-16(26(28,29)30)8-9-20(18)34(22)13-15-11-14-5-2-3-7-19(14)32-23(15)27/h3-9,11-13,15H,10,14H2,1-2H3,(H,36,39);1-7,10-13,18H,8-9,14H2,(H,33,37)(H,35,38);4-10,12-15H,11,16H2,1-3H3,(H,31,35);2-12H,13H2,1H3,(H,31,35)(H,33,36)
• InChIKey: UTMIIHKMNQAAKC-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 427.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.05
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide (CID 161189200) is 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide.

What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide is CC(C)S(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2cc(C(F)(F)F)c(F)cc2n1Cc1cc2ccccc2nc1Cl.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl.Cc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(=O)(=O)N(C)C)n2Cc1cc2ccccc2nc1Cl.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl.

What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

The InChIKey is UTMIIHKMNQAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClF4N3O4S.C28H20ClF3N4O4S.C28H25ClN4O4S.C26H18ClF3N4O4S/c1-15(2)42(40,41)36-28(39)26-25(18-8-4-6-10-24(18)38)19-12-20(29(32,33)34)21(31)13-23(19)37(26)14-17-11-16-7-3-5-9-22(16)35-27(17)30;29-25-16(12-15-4-1-2-6-21(15)34-25)14-36-22-10-7-17(28(30,31)32)13-20(22)23(19-5-3-11-33-26(19)37)24(36)27(38)35-41(39,40)18-8-9-18;1-17-12-13-23-21(14-17)25(20-9-5-7-11-24(20)34)26(28(35)31-38(36,37)32(2)3)33(23)16-19-15-18-8-4-6-10-22(18)30-27(19)29;1-39(37,38)33-25(36)22-21(17-6-4-10-31-24(17)35)18-12-16(26(28,29)30)8-9-20(18)34(22)13-15-11-14-5-2-3-7-19(14)32-23(15)27/h3-9,11-13,15H,10,14H2,1-2H3,(H,36,39);1-7,10-13,18H,8-9,14H2,(H,33,37)(H,35,38);4-10,12-15H,11,16H2,1-3H3,(H,31,35);2-12H,13H2,1H3,(H,31,35)(H,33,36).

What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide?

1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 2345.05 g/mol, XLogP of 21.52, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 161189200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).