2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid

C19H18N2O4S — CID 68702928

IUPAC2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
SMILESCCCS(=O)(=O)Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H18N2O4S/c1-2-12-26(24,25)21-18-16(19(22)23)14-10-6-7-11-15(14)20-17(18)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,22,23)
InChIKeyCXAARAAXOLNTAD-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.75
Rot. Bonds6

About 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid

2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid (PubChem CID 68702928) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
PubChem CID68702928
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
SMILESCCCS(=O)(=O)Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H18N2O4S/c1-2-12-26(24,25)21-18-16(19(22)23)14-10-6-7-11-15(14)20-17(18)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,22,23)
InChIKeyCXAARAAXOLNTAD-UHFFFAOYSA-N
XLogP3.75
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
[2-phenyl-4-(3-phenylpropylcarbamoyl)quinolin-3-yl] propane-1-sulfonate
CID 87756208
3-[[benzenesulfonyl(methyl)amino]methyl]-2-phenylquinoline-4-carboxylic acid
CID 70326834
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
CID 94962038
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid
CID 23497681
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid?
The IUPAC name of 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid (CID 68702928) is 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid is CCCS(=O)(=O)Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid?
The InChIKey is CXAARAAXOLNTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-12-26(24,25)21-18-16(19(22)23)14-10-6-7-11-15(14)20-17(18)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid?
2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 68702928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).