6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide

C125H126F4N12O11 — CID 161072633

About 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide

6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide (PubChem CID 161072633) has the molecular formula C125H126F4N12O11 and a molecular weight of 2048.45 g/mol. Its IUPAC name is 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
• PubChem CID: 161072633
• Molecular Formula: C125H126F4N12O11
• Molecular Weight: 2048.45 g/mol
• Exact Mass: 2046.96
• IUPAC Name: 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
• SMILES: CCCCNC(=O)c1ccc(-c2cc3c(CCc4ccc(CO)cc4)c(C(=O)CC4CC4)cnc3cc2OC)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2C(F)(F)F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)nc1
• InChI: InChI=1S/C34H37N3O4.C32H33N3O3.C30H28F3N3O2.C29H28FN3O2/c1-3-4-15-35-34(40)25-12-14-30(36-19-25)28-17-27-26(13-11-22-5-9-24(21-38)10-6-22)29(32(39)16-23-7-8-23)20-37-31(27)18-33(28)41-2;1-3-4-14-33-32(37)23-12-13-28(34-19-23)26-17-25-24(15-21-8-6-5-7-9-21)27(30(36)16-22-10-11-22)20-35-29(25)18-31(26)38-2;1-3-5-13-34-29(38)20-11-12-26(35-17-20)23-15-22-21(14-19-9-7-6-8-10-19)24(28(37)4-2)18-36-27(22)16-25(23)30(31,32)33;1-3-5-13-31-29(35)20-11-12-26(32-17-20)23-15-22-21(14-19-9-7-6-8-10-19)24(28(34)4-2)18-33-27(22)16-25(23)30/h5-6,9-10,12,14,17-20,23,38H,3-4,7-8,11,13,15-16,21H2,1-2H3,(H,35,40);5-9,12-13,17-20,22H,3-4,10-11,14-16H2,1-2H3,(H,33,37);6-12,15-18H,3-5,13-14H2,1-2H3,(H,34,38);6-12,15-18H,3-5,13-14H2,1-2H3,(H,31,35)
• InChIKey: UEVZEIQYTDFHHQ-UHFFFAOYSA-N
• XLogP: 25.68
• TPSA: 326.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 42
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.45
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide (CID 161072633) is 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide is CCCCNC(=O)c1ccc(-c2cc3c(CCc4ccc(CO)cc4)c(C(=O)CC4CC4)cnc3cc2OC)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2C(F)(F)F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2F)nc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)nc1.

What is the InChIKey of 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide?

The InChIKey is UEVZEIQYTDFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O4.C32H33N3O3.C30H28F3N3O2.C29H28FN3O2/c1-3-4-15-35-34(40)25-12-14-30(36-19-25)28-17-27-26(13-11-22-5-9-24(21-38)10-6-22)29(32(39)16-23-7-8-23)20-37-31(27)18-33(28)41-2;1-3-4-14-33-32(37)23-12-13-28(34-19-23)26-17-25-24(15-21-8-6-5-7-9-21)27(30(36)16-22-10-11-22)20-35-29(25)18-31(26)38-2;1-3-5-13-34-29(38)20-11-12-26(35-17-20)23-15-22-21(14-19-9-7-6-8-10-19)24(28(37)4-2)18-36-27(22)16-25(23)30(31,32)33;1-3-5-13-31-29(35)20-11-12-26(32-17-20)23-15-22-21(14-19-9-7-6-8-10-19)24(28(34)4-2)18-33-27(22)16-25(23)30/h5-6,9-10,12,14,17-20,23,38H,3-4,7-8,11,13,15-16,21H2,1-2H3,(H,35,40);5-9,12-13,17-20,22H,3-4,10-11,14-16H2,1-2H3,(H,33,37);6-12,15-18H,3-5,13-14H2,1-2H3,(H,34,38);6-12,15-18H,3-5,13-14H2,1-2H3,(H,31,35).

What are the key properties of 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide?

6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide has a molecular weight of 2048.45 g/mol, XLogP of 25.68, 42 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161072633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).