4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid

C17H19N3O7S — CID 11517105

IUPAC4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)NCCO
InChIInChI=1S/C17H19N3O7S/c21-6-3-18-16(22)15-12-9-11(28(25,26)20-4-7-27-8-5-20)1-2-14(12)19-10-13(15)17(23)24/h1-2,9-10,21H,3-8H2,(H,18,22)(H,23,24)
InChIKeyVNPWRBGRKUELNW-UHFFFAOYSA-N
MW409.42 g/mol
LogP-0.32
Rot. Bonds6

About 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid

4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid (PubChem CID 11517105) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
PubChem CID11517105
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC Name4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)NCCO
InChIInChI=1S/C17H19N3O7S/c21-6-3-18-16(22)15-12-9-11(28(25,26)20-4-7-27-8-5-20)1-2-14(12)19-10-13(15)17(23)24/h1-2,9-10,21H,3-8H2,(H,18,22)(H,23,24)
InChIKeyVNPWRBGRKUELNW-UHFFFAOYSA-N
XLogP-0.32
TPSA146.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid (CID 11517105) is 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid is O=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)NCCO.
What is the InChIKey of 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid?
The InChIKey is VNPWRBGRKUELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c21-6-3-18-16(22)15-12-9-11(28(25,26)20-4-7-27-8-5-20)1-2-14(12)19-10-13(15)17(23)24/h1-2,9-10,21H,3-8H2,(H,18,22)(H,23,24).
What are the key properties of 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid?
4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid has a molecular weight of 409.42 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid is sourced from PubChem (CID 11517105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).