(7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

About (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

(7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 67411138) has the molecular formula C37H49N7O7S and a molecular weight of 735.91 g/mol. Its IUPAC name is (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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	(7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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	67411138
Molecular Formula	C37H49N7O7S
Molecular Weight	735.91 g/mol
Exact Mass	735.34
IUPAC Name	(7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
SMILES	COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)N(C)C)CC5/C=C/CCCCN(C)C(=O)C4C3)cc(-n3ccc(C(C)C)n3)nc2c1C
InChI	InChI=1S/C37H49N7O7S/c1-22(2)29-15-17-44(40-29)32-20-31(26-13-14-30(50-7)23(3)33(26)38-32)51-25-18-27-28(19-25)35(46)43(6)16-11-9-8-10-12-24-21-37(24,39-34(27)45)36(47)41-52(48,49)42(4)5/h10,12-15,17,20,22,24-25,27-28H,8-9,11,16,18-19,21H2,1-7H3,(H,39,45)(H,41,47)/b12-10+
InChIKey	QRMVSHCQNPICNB-ZRDIBKRKSA-N
XLogP	3.63
TPSA	165.06 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	735.91
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide (CID 67411138) is (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide is COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)N(C)C)CC5/C=C/CCCCN(C)C(=O)C4C3)cc(-n3ccc(C(C)C)n3)nc2c1C.

What is the InChIKey of (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 QRMVSHCQNPICNB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C37H49N7O7S/c1-22(2)29-15-17-44(40-29)32-20-31(26-13-14-30(50-7)23(3)33(26)38-32)51-25-18-27-28(19-25)35(46)43(6)16-11-9-8-10-12-24-21-37(24,39-34(27)45)36(47)41-52(48,49)42(4)5/h10,12-15,17,20,22,24-25,27-28H,8-9,11,16,18-19,21H2,1-7H3,(H,39,45)(H,41,47)/b12-10+.

What are the key properties of (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide?

(7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 735.91 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-N-(dimethylsulfamoyl)-17-[7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-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 67411138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).