1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C106H121F6N11O7 — CID 158438906

About 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 158438906) has the molecular formula C106H121F6N11O7 and a molecular weight of 1775.19 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
• PubChem CID: 158438906
• Molecular Formula: C106H121F6N11O7
• Molecular Weight: 1775.19 g/mol
• Exact Mass: 1773.94
• IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
• SMILES: C=C1CCC(c2ccc(CN3CCCc4cc(C(N)=O)ccc43)cc2)N1.CC(C)(C)c1ccc(CN2CCCc3cc(C(N)=O)ccc32)cc1.CC(O)(c1ccc(CN2CCCc3cc(C(N)=O)ccc32)cc1)C(F)(F)F.CNC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(C)(O)C(F)(F)F)cc1.NC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C2CCCC2)cc1
• InChI: InChI=1S/C22H25N3O.C22H26N2O.C21H23F3N2O2.C21H26N2O.C20H21F3N2O2/c1-15-4-10-20(24-15)17-7-5-16(6-8-17)14-25-12-2-3-18-13-19(22(23)26)9-11-21(18)25;23-22(25)20-11-12-21-19(14-20)6-3-13-24(21)15-16-7-9-18(10-8-16)17-4-1-2-5-17;1-20(28,21(22,23)24)17-8-5-14(6-9-17)13-26-11-3-4-15-12-16(19(27)25-2)7-10-18(15)26;1-21(2,3)18-9-6-15(7-10-18)14-23-12-4-5-16-13-17(20(22)24)8-11-19(16)23;1-19(27,20(21,22)23)16-7-4-13(5-8-16)12-25-10-2-3-14-11-15(18(24)26)6-9-17(14)25/h5-9,11,13,20,24H,1-4,10,12,14H2,(H2,23,26);7-12,14,17H,1-6,13,15H2,(H2,23,25);5-10,12,28H,3-4,11,13H2,1-2H3,(H,25,27);6-11,13H,4-5,12,14H2,1-3H3,(H2,22,24);4-9,11,27H,2-3,10,12H2,1H3,(H2,24,26)
• InChIKey: HCONCRXAQUTCLM-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 270.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1775.19
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?

The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 158438906) is 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?

The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is C=C1CCC(c2ccc(CN3CCCc4cc(C(N)=O)ccc43)cc2)N1.CC(C)(C)c1ccc(CN2CCCc3cc(C(N)=O)ccc32)cc1.CC(O)(c1ccc(CN2CCCc3cc(C(N)=O)ccc32)cc1)C(F)(F)F.CNC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(C)(O)C(F)(F)F)cc1.NC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C2CCCC2)cc1.

What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?

The InChIKey is HCONCRXAQUTCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C22H26N2O.C21H23F3N2O2.C21H26N2O.C20H21F3N2O2/c1-15-4-10-20(24-15)17-7-5-16(6-8-17)14-25-12-2-3-18-13-19(22(23)26)9-11-21(18)25;23-22(25)20-11-12-21-19(14-20)6-3-13-24(21)15-16-7-9-18(10-8-16)17-4-1-2-5-17;1-20(28,21(22,23)24)17-8-5-14(6-9-17)13-26-11-3-4-15-12-16(19(27)25-2)7-10-18(15)26;1-21(2,3)18-9-6-15(7-10-18)14-23-12-4-5-16-13-17(20(22)24)8-11-19(16)23;1-19(27,20(21,22)23)16-7-4-13(5-8-16)12-25-10-2-3-14-11-15(18(24)26)6-9-17(14)25/h5-9,11,13,20,24H,1-4,10,12,14H2,(H2,23,26);7-12,14,17H,1-6,13,15H2,(H2,23,25);5-10,12,28H,3-4,11,13H2,1-2H3,(H,25,27);6-11,13H,4-5,12,14H2,1-3H3,(H2,22,24);4-9,11,27H,2-3,10,12H2,1H3,(H2,24,26).

What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?

1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 1775.19 g/mol, XLogP of 19.39, 19 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-cyclopentylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;N-methyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 158438906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).