N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one

C38H52F3N5O6S2 — CID 143960477

About N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one

N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one (PubChem CID 143960477) has the molecular formula C38H52F3N5O6S2 and a molecular weight of 795.99 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
• PubChem CID: 143960477
• Molecular Formula: C38H52F3N5O6S2
• Molecular Weight: 795.99 g/mol
• Exact Mass: 795.33
• IUPAC Name: N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
• SMILES: C=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3nc(C(F)(F)F)cs3)[nH]c2c1C.O=CNSC1CC1
• InChI: InChI=1S/C17H28N2O3.C15H11F3N2O2S.C4H7NOS.C2H6/c1-3-4-5-6-12-22-13(2)17(21)19-11-7-8-15(19)16(20)18-14-9-10-14;1-7-11(22-2)4-3-8-10(21)5-9(19-13(7)8)14-20-12(6-23-14)15(16,17)18;6-3-5-7-4-1-2-4;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);3-6H,1-2H3,(H,19,21);3-4H,1-2H2,(H,5,6);1-2H3/t13-,15?;;;/m1.../s1
• InChIKey: YIWAQGARYJZLGC-KKZCUSTBSA-N
• XLogP: 7.57
• TPSA: 142.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.99
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?

The IUPAC name of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one (CID 143960477) is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one.

What is the SMILES notation for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?

The canonical SMILES for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one is C=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3nc(C(F)(F)F)cs3)[nH]c2c1C.O=CNSC1CC1.

What is the InChIKey of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?

The InChIKey is YIWAQGARYJZLGC-KKZCUSTBSA-N. The full InChI is InChI=1S/C17H28N2O3.C15H11F3N2O2S.C4H7NOS.C2H6/c1-3-4-5-6-12-22-13(2)17(21)19-11-7-8-15(19)16(20)18-14-9-10-14;1-7-11(22-2)4-3-8-10(21)5-9(19-13(7)8)14-20-12(6-23-14)15(16,17)18;6-3-5-7-4-1-2-4;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);3-6H,1-2H3,(H,19,21);3-4H,1-2H2,(H,5,6);1-2H3/t13-,15?;;;/m1.../s1.

What are the key properties of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?

N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one has a molecular weight of 795.99 g/mol, XLogP of 7.57, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 143960477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).