4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide

C24H19N3O4S — CID 11362812

IUPAC4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
SMILESCC(=O)c1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C24H19N3O4S/c1-15(28)16-6-5-7-17(12-16)27-23-20-13-19(32(30,31)18-8-3-2-4-9-18)10-11-22(20)26-14-21(23)24(25)29/h2-14H,1H3,(H2,25,29)(H,26,27)
InChIKeyTXQGBIQKGQFVRE-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.11
Rot. Bonds6

About 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide

4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide (PubChem CID 11362812) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
PubChem CID11362812
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC Name4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
SMILESCC(=O)c1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C24H19N3O4S/c1-15(28)16-6-5-7-17(12-16)27-23-20-13-19(32(30,31)18-8-3-2-4-9-18)10-11-22(20)26-14-21(23)24(25)29/h2-14H,1H3,(H2,25,29)(H,26,27)
InChIKeyTXQGBIQKGQFVRE-UHFFFAOYSA-N
XLogP4.11
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzenesulfonyl)-4-(4-hydroxy-3-methoxyanilino)quinoline-3-carboxamide
CID 11351389
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
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
6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 71576691
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
3-[(3-carbamoyl-7-pyrimidin-5-ylquinolin-4-yl)amino]benzoic acid
CID 57334789
4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
CID 7137761

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide (CID 11362812) is 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide is CC(=O)c1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1.
What is the InChIKey of 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide?
The InChIKey is TXQGBIQKGQFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-15(28)16-6-5-7-17(12-16)27-23-20-13-19(32(30,31)18-8-3-2-4-9-18)10-11-22(20)26-14-21(23)24(25)29/h2-14H,1H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide?
4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide is sourced from PubChem (CID 11362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).