4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide

C19H19N3O4S — CID 11269155

IUPAC4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3cc(C)c(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C19H19N3O4S/c1-11-7-16-14(9-17(11)27(3,24)25)18(15(10-21-16)19(20)23)22-12-5-4-6-13(8-12)26-2/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyRKVDKBQNONYAHW-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.80
Rot. Bonds5

About 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide

4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11269155) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11269155
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3cc(C)c(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C19H19N3O4S/c1-11-7-16-14(9-17(11)27(3,24)25)18(15(10-21-16)19(20)23)22-12-5-4-6-13(8-12)26-2/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyRKVDKBQNONYAHW-UHFFFAOYSA-N
XLogP2.80
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69119423
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465
N-(diaminomethylidene)-4-(3-methoxyanilino)-2-methyl-5-methylsulfonylbenzamide
CID 18930160
4-(3-methoxyanilino)-6-[2-(2-methylpropanoylamino)ethylsulfanyl]quinoline-3-carboxamide
CID 142969698
8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69252977
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide (CID 11269155) is 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3cc(C)c(S(C)(=O)=O)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is RKVDKBQNONYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-7-16-14(9-17(11)27(3,24)25)18(15(10-21-16)19(20)23)22-12-5-4-6-13(8-12)26-2/h4-10H,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide?
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11269155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).