5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide

C122H123F5N16O9 — CID 157418246

About 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide

5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide (PubChem CID 157418246) has the molecular formula C122H123F5N16O9 and a molecular weight of 2052.42 g/mol. Its IUPAC name is 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
• PubChem CID: 157418246
• Molecular Formula: C122H123F5N16O9
• Molecular Weight: 2052.42 g/mol
• Exact Mass: 2050.96
• IUPAC Name: 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
• SMILES: CCCCNC(=O)c1cnc(-c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNC(=O)c1cnc(-c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)cn1.CCCCNC(=O)c1cnc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cn1.CCCCNC(=O)c1cnc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cn1
• InChI: InChI=1S/C32H34N4O3.C31H29F3N4O2.C30H29FN4O2.C29H31FN4O2/c1-3-4-14-33-32(38)29-20-35-28(19-36-29)25-16-24-23(13-12-21-8-6-5-7-9-21)26(30(37)15-22-10-11-22)18-34-27(24)17-31(25)39-2;1-2-3-11-35-30(40)28-18-37-27(17-38-28)23-14-22-21(12-19-7-5-4-6-8-19)24(29(39)13-20-9-10-20)16-36-26(22)15-25(23)31(32,33)34;1-2-3-11-32-30(37)28-18-34-27(17-35-28)23-14-22-21(12-19-7-5-4-6-8-19)24(29(36)13-20-9-10-20)16-33-26(22)15-25(23)31;1-2-3-6-31-29(36)27-15-33-26(14-34-27)22-11-21-20(10-19-17-8-18(19)9-17)23(28(35)7-16-4-5-16)13-32-25(21)12-24(22)30/h5-9,16-20,22H,3-4,10-15H2,1-2H3,(H,33,38);4-8,14-18,20H,2-3,9-13H2,1H3,(H,35,40);4-8,14-18,20H,2-3,9-13H2,1H3,(H,32,37);11-19H,2-10H2,1H3,(H,31,36)
• InChIKey: BPCHOBLRQYEGEO-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 348.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.42
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide (CID 157418246) is 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(-c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNC(=O)c1cnc(-c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)cn1.CCCCNC(=O)c1cnc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cn1.CCCCNC(=O)c1cnc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cn1.

What is the InChIKey of 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide?

The InChIKey is BPCHOBLRQYEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3.C31H29F3N4O2.C30H29FN4O2.C29H31FN4O2/c1-3-4-14-33-32(38)29-20-35-28(19-36-29)25-16-24-23(13-12-21-8-6-5-7-9-21)26(30(37)15-22-10-11-22)18-34-27(24)17-31(25)39-2;1-2-3-11-35-30(40)28-18-37-27(17-38-28)23-14-22-21(12-19-7-5-4-6-8-19)24(29(39)13-20-9-10-20)16-36-26(22)15-25(23)31(32,33)34;1-2-3-11-32-30(37)28-18-34-27(17-35-28)23-14-22-21(12-19-7-5-4-6-8-19)24(29(36)13-20-9-10-20)16-33-26(22)15-25(23)31;1-2-3-6-31-29(36)27-15-33-26(14-34-27)22-11-21-20(10-19-17-8-18(19)9-17)23(28(35)7-16-4-5-16)13-32-25(21)12-24(22)30/h5-9,16-20,22H,3-4,10-15H2,1-2H3,(H,33,38);4-8,14-18,20H,2-3,9-13H2,1H3,(H,35,40);4-8,14-18,20H,2-3,9-13H2,1H3,(H,32,37);11-19H,2-10H2,1H3,(H,31,36).

What are the key properties of 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide?

5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide has a molecular weight of 2052.42 g/mol, XLogP of 24.29, 42 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 157418246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).