N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C100H113F15N14O7 — CID 160964934

About N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 160964934) has the molecular formula C100H113F15N14O7 and a molecular weight of 1908.06 g/mol. Its IUPAC name is N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
• PubChem CID: 160964934
• Molecular Formula: C100H113F15N14O7
• Molecular Weight: 1908.06 g/mol
• Exact Mass: 1906.87
• IUPAC Name: N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
• SMILES: CNCCCNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Cc1cc(C(=O)NCC2CCN2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCC2CCCCN2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCCN2CCOCC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCCO)nc2c(C(F)(F)F)cc(C3CC3)cc12
• InChI: InChI=1S/C22H26F3N3O2.C22H26F3N3O.C19H20F3N3O.C19H22F3N3O.C18H19F3N2O2/c1-14-11-19(21(29)26-5-2-6-28-7-9-30-10-8-28)27-20-17(14)12-16(15-3-4-15)13-18(20)22(23,24)25;1-13-10-19(21(29)27-9-7-16-4-2-3-8-26-16)28-20-17(13)11-15(14-5-6-14)12-18(20)22(23,24)25;1-10-6-16(18(26)24-9-13-4-5-23-13)25-17-14(10)7-12(11-2-3-11)8-15(17)19(20,21)22;1-11-8-16(18(26)24-7-3-6-23-2)25-17-14(11)9-13(12-4-5-12)10-15(17)19(20,21)22;1-10-7-15(17(25)22-5-2-6-24)23-16-13(10)8-12(11-3-4-11)9-14(16)18(19,20)21/h11-13,15H,2-10H2,1H3,(H,26,29);10-12,14,16,26H,2-9H2,1H3,(H,27,29);6-8,11,13,23H,2-5,9H2,1H3,(H,24,26);8-10,12,23H,3-7H2,1-2H3,(H,24,26);7-9,11,24H,2-6H2,1H3,(H,22,25)
• InChIKey: SXMMLJDIDKRXLQ-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 278.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.06
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?

The IUPAC name of N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 160964934) is N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

What is the SMILES notation for N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?

The canonical SMILES for N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is CNCCCNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Cc1cc(C(=O)NCC2CCN2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCC2CCCCN2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCCN2CCOCC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCCCO)nc2c(C(F)(F)F)cc(C3CC3)cc12.

What is the InChIKey of N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?

The InChIKey is SXMMLJDIDKRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2.C22H26F3N3O.C19H20F3N3O.C19H22F3N3O.C18H19F3N2O2/c1-14-11-19(21(29)26-5-2-6-28-7-9-30-10-8-28)27-20-17(14)12-16(15-3-4-15)13-18(20)22(23,24)25;1-13-10-19(21(29)27-9-7-16-4-2-3-8-26-16)28-20-17(13)11-15(14-5-6-14)12-18(20)22(23,24)25;1-10-6-16(18(26)24-9-13-4-5-23-13)25-17-14(10)7-12(11-2-3-11)8-15(17)19(20,21)22;1-11-8-16(18(26)24-7-3-6-23-2)25-17-14(11)9-13(12-4-5-12)10-15(17)19(20,21)22;1-10-7-15(17(25)22-5-2-6-24)23-16-13(10)8-12(11-3-4-11)9-14(16)18(19,20)21/h11-13,15H,2-10H2,1H3,(H,26,29);10-12,14,16,26H,2-9H2,1H3,(H,27,29);6-8,11,13,23H,2-5,9H2,1H3,(H,24,26);8-10,12,23H,3-7H2,1-2H3,(H,24,26);7-9,11,24H,2-6H2,1H3,(H,22,25).

What are the key properties of N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?

N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 1908.06 g/mol, XLogP of 19.45, 26 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 160964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).