6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide

C23H19N3O5S — CID 11351389

IUPAC6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)ccc1O
InChIInChI=1S/C23H19N3O5S/c1-31-21-11-14(7-10-20(21)27)26-22-17-12-16(32(29,30)15-5-3-2-4-6-15)8-9-19(17)25-13-18(22)23(24)28/h2-13,27H,1H3,(H2,24,28)(H,25,26)
InChIKeyGBPBPNRLUNEYBN-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.62
Rot. Bonds6

About 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide

6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 11351389) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide
PubChem CID11351389
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)ccc1O
InChIInChI=1S/C23H19N3O5S/c1-31-21-11-14(7-10-20(21)27)26-22-17-12-16(32(29,30)15-5-3-2-4-6-15)8-9-19(17)25-13-18(22)23(24)28/h2-13,27H,1H3,(H2,24,28)(H,25,26)
InChIKeyGBPBPNRLUNEYBN-UHFFFAOYSA-N
XLogP3.62
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
CID 11362812
4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465
methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate
CID 67513533
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 71576691
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide (CID 11351389) is 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)ccc1O.
What is the InChIKey of 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is GBPBPNRLUNEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-31-21-11-14(7-10-20(21)27)26-22-17-12-16(32(29,30)15-5-3-2-4-6-15)8-9-19(17)25-13-18(22)23(24)28/h2-13,27H,1H3,(H2,24,28)(H,25,26).
What are the key properties of 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 11351389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).