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

C43H59N5O6S2 — CID 143960566

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

N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide (PubChem CID 143960566) has the molecular formula C43H59N5O6S2 and a molecular weight of 806.11 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide
• PubChem CID: 143960566
• Molecular Formula: C43H59N5O6S2
• Molecular Weight: 806.11 g/mol
• Exact Mass: 805.39
• IUPAC Name: N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide
• SMILES: C=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNSc1ccccc1
• InChI: InChI=1S/C17H28N2O3.C17H18N2O2S.C7H7NOS.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;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;9-6-8-10-7-4-2-1-3-5-7;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);5-9H,1-4H3,(H,18,20);1-6H,(H,8,9);1-2H3/t13-,15?;;;/m1.../s1
• InChIKey: OUKSVJUJGOQSTP-KKZCUSTBSA-N
• XLogP: 8.58
• TPSA: 142.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.11
LogP ≤ 5	8.58
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;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide?

The IUPAC name of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide (CID 143960566) is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide.

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

The canonical SMILES for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide is C=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNSc1ccccc1.

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

The InChIKey is OUKSVJUJGOQSTP-KKZCUSTBSA-N. The full InChI is InChI=1S/C17H28N2O3.C17H18N2O2S.C7H7NOS.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;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;9-6-8-10-7-4-2-1-3-5-7;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);5-9H,1-4H3,(H,18,20);1-6H,(H,8,9);1-2H3/t13-,15?;;;/m1.../s1.

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

N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide has a molecular weight of 806.11 g/mol, XLogP of 8.58, 15 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;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide is sourced from PubChem (CID 143960566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).