4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid

C23H24ClN3O5S — CID 172550818

IUPAC4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)ccc1Nc1c(S(=O)(=O)N2CCOCC2)cnc2ccc(Cl)cc12
InChIInChI=1S/C23H24ClN3O5S/c1-2-3-15-12-16(23(28)29)4-6-19(15)26-22-18-13-17(24)5-7-20(18)25-14-21(22)33(30,31)27-8-10-32-11-9-27/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26)(H,28,29)
InChIKeyIJWSZIGXOUFWAZ-UHFFFAOYSA-N
MW489.98 g/mol
LogP4.30
Rot. Bonds7

About 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid

4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid (PubChem CID 172550818) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid.

Molecular Properties

Compound Name4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid
PubChem CID172550818
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)ccc1Nc1c(S(=O)(=O)N2CCOCC2)cnc2ccc(Cl)cc12
InChIInChI=1S/C23H24ClN3O5S/c1-2-3-15-12-16(23(28)29)4-6-19(15)26-22-18-13-17(24)5-7-20(18)25-14-21(22)33(30,31)27-8-10-32-11-9-27/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26)(H,28,29)
InChIKeyIJWSZIGXOUFWAZ-UHFFFAOYSA-N
XLogP4.30
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
CID 155235436
3-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-5-sulfamoylbenzoic acid
CID 172550822
2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 171781277
3-[(6-bromo-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-1-oxidopyridin-1-ium-2-carboxylic acid
CID 164934864
4-[[6-chloro-3-(oxan-4-yl)quinolin-4-yl]amino]benzoic acid
CID 171781279
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
CID 166273277
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
5-chloro-2-[[6-chloro-3-(2,3,6,7-tetrahydrooxepin-4-yl)quinolin-4-yl]amino]benzoic acid
CID 176600709
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid?
The IUPAC name of 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid (CID 172550818) is 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid.
What is the SMILES notation for 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid?
The canonical SMILES for 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid is CCCc1cc(C(=O)O)ccc1Nc1c(S(=O)(=O)N2CCOCC2)cnc2ccc(Cl)cc12.
What is the InChIKey of 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid?
The InChIKey is IJWSZIGXOUFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-2-3-15-12-16(23(28)29)4-6-19(15)26-22-18-13-17(24)5-7-20(18)25-14-21(22)33(30,31)27-8-10-32-11-9-27/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid?
4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid has a molecular weight of 489.98 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid is sourced from PubChem (CID 172550818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).