2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide

C33H29ClN4O5S — CID 3421000

IUPAC2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C33H29ClN4O5S/c1-42-32-13-7-6-12-28(32)37-44(40,41)22-14-15-31(38-16-18-43-19-17-38)30(20-22)36-33(39)25-21-29(24-9-2-4-10-26(24)34)35-27-11-5-3-8-23(25)27/h2-15,20-21,37H,16-19H2,1H3,(H,36,39)
InChIKeyGEZYYXWQENKRDK-UHFFFAOYSA-N
MW629.14 g/mol
LogP6.45
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide (PubChem CID 3421000) has the molecular formula C33H29ClN4O5S and a molecular weight of 629.14 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide
PubChem CID3421000
Molecular FormulaC33H29ClN4O5S
Molecular Weight629.14 g/mol
Exact Mass628.15
IUPAC Name2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C33H29ClN4O5S/c1-42-32-13-7-6-12-28(32)37-44(40,41)22-14-15-31(38-16-18-43-19-17-38)30(20-22)36-33(39)25-21-29(24-9-2-4-10-26(24)34)35-27-11-5-3-8-23(25)27/h2-15,20-21,37H,16-19H2,1H3,(H,36,39)
InChIKeyGEZYYXWQENKRDK-UHFFFAOYSA-N
XLogP6.45
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.14
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide (CID 3421000) is 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide is COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide?
The InChIKey is GEZYYXWQENKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClN4O5S/c1-42-32-13-7-6-12-28(32)37-44(40,41)22-14-15-31(38-16-18-43-19-17-38)30(20-22)36-33(39)25-21-29(24-9-2-4-10-26(24)34)35-27-11-5-3-8-23(25)27/h2-15,20-21,37H,16-19H2,1H3,(H,36,39).
What are the key properties of 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide has a molecular weight of 629.14 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).