(7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

C37H48N6O7S2 — CID 67410195

About (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

(7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide (PubChem CID 67410195) has the molecular formula C37H48N6O7S2 and a molecular weight of 752.96 g/mol. Its IUPAC name is (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide.

Molecular Properties

• Compound Name: (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
• PubChem CID: 67410195
• Molecular Formula: C37H48N6O7S2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.30
• IUPAC Name: (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
• SMILES: CCN(C)S(=O)(=O)NC(=O)C12CC1/C=C\CCCCN(C)C(=O)C1CC(Oc3cc(-c4nc(C(C)C)cs4)nc4cc(OC)ccc34)CC1C(=O)N2
• InChI: InChI=1S/C37H48N6O7S2/c1-7-43(5)52(47,48)41-36(46)37-20-23(37)12-10-8-9-11-15-42(4)35(45)28-17-25(16-27(28)33(44)40-37)50-32-19-30(34-39-31(21-51-34)22(2)3)38-29-18-24(49-6)13-14-26(29)32/h10,12-14,18-19,21-23,25,27-28H,7-9,11,15-17,20H2,1-6H3,(H,40,44)(H,41,46)/b12-10-
• InChIKey: ZJIWVNZRMRBQIS-BENRWUELSA-N
• XLogP: 4.65
• TPSA: 160.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide?

The IUPAC name of (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide (CID 67410195) is (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide.

What is the SMILES notation for (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide?

The canonical SMILES for (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide is CCN(C)S(=O)(=O)NC(=O)C12CC1/C=C\CCCCN(C)C(=O)C1CC(Oc3cc(-c4nc(C(C)C)cs4)nc4cc(OC)ccc34)CC1C(=O)N2.

What is the InChIKey of (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide?

The InChIKey is ZJIWVNZRMRBQIS-BENRWUELSA-N. The full InChI is InChI=1S/C37H48N6O7S2/c1-7-43(5)52(47,48)41-36(46)37-20-23(37)12-10-8-9-11-15-42(4)35(45)28-17-25(16-27(28)33(44)40-37)50-32-19-30(34-39-31(21-51-34)22(2)3)38-29-18-24(49-6)13-14-26(29)32/h10,12-14,18-19,21-23,25,27-28H,7-9,11,15-17,20H2,1-6H3,(H,40,44)(H,41,46)/b12-10-.

What are the key properties of (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide?

(7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide has a molecular weight of 752.96 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-N-[ethyl(methyl)sulfamoyl]-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide is sourced from PubChem (CID 67410195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).