N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide

C37H52N6O7S2 — CID 145448986

About N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide

N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide (PubChem CID 145448986) has the molecular formula C37H52N6O7S2 and a molecular weight of 756.99 g/mol. Its IUPAC name is N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide
• PubChem CID: 145448986
• Molecular Formula: C37H52N6O7S2
• Molecular Weight: 756.99 g/mol
• Exact Mass: 756.33
• IUPAC Name: N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide
• SMILES: CN(CCCC/C=C/[C@@H]1C[C@H]1NC(=O)C1CCCC1)N=O.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNS(=O)(=O)C1CC1
• InChI: InChI=1S/C17H18N2O2S.C16H27N3O2.C4H7NO3S/c1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;1-19(18-21)11-7-3-2-4-10-14-12-15(14)17-16(20)13-8-5-6-9-13;6-3-5-9(7,8)4-1-2-4/h5-9H,1-4H3,(H,18,20);4,10,13-15H,2-3,5-9,11-12H2,1H3,(H,17,20);3-4H,1-2H2,(H,5,6)/b;10-4+;/t;14-,15-;/m.1./s1
• InChIKey: IOVZJSFKIMJJND-ZLAFDSSDSA-N
• XLogP: 6.34
• TPSA: 179.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.99
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide?

The IUPAC name of N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide (CID 145448986) is N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide.

What is the SMILES notation for N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide?

The canonical SMILES for N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide is CN(CCCC/C=C/[C@@H]1C[C@H]1NC(=O)C1CCCC1)N=O.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNS(=O)(=O)C1CC1.

What is the InChIKey of N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide?

The InChIKey is IOVZJSFKIMJJND-ZLAFDSSDSA-N. The full InChI is InChI=1S/C17H18N2O2S.C16H27N3O2.C4H7NO3S/c1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;1-19(18-21)11-7-3-2-4-10-14-12-15(14)17-16(20)13-8-5-6-9-13;6-3-5-9(7,8)4-1-2-4/h5-9H,1-4H3,(H,18,20);4,10,13-15H,2-3,5-9,11-12H2,1H3,(H,17,20);3-4H,1-2H2,(H,5,6)/b;10-4+;/t;14-,15-;/m.1./s1.

What are the key properties of N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide?

N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide has a molecular weight of 756.99 g/mol, XLogP of 6.34, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 145448986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).