2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid

C26H26N2O6S — CID 24825719

IUPAC2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIInChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)
InChIKeySQOXYOBZJLLXKB-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.02
Rot. Bonds7

About 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid

2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid (PubChem CID 24825719) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
PubChem CID24825719
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC Name2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIInChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)
InChIKeySQOXYOBZJLLXKB-UHFFFAOYSA-N
XLogP4.02
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
4-{8-[(3-methoxyanilino)sulfonyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
CID 3136304
4-Methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2385964
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 5322407
3-[[5-[3-[(2-Benzamidoacetyl)amino]phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid
CID 21982386
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155569554
Diethylsulfonamide Derivative, 13g
CID 11751717
3-[(4-Methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1310240
N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 2109848
methyl 2-({N-[(2-methoxy-5-methylphenyl)sulfonyl]-N-methylglycyl}amino)benzoate
CID 2304197
4-Methoxy-3-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 4848457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid (CID 24825719) is 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid is COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21.
What is the InChIKey of 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid?
The InChIKey is SQOXYOBZJLLXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid?
2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid has a molecular weight of 494.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24825719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).