4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide

C17H15N3O4S — CID 158839426

IUPAC4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
SMILESCc1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1.O=S=O
InChIInChI=1S/C17H15N3O2.O2S/c1-10-5-6-15-13(7-10)16(14(9-19-15)17(18)22)20-11-3-2-4-12(21)8-11;1-3-2/h2-9,21H,1H3,(H2,18,22)(H,19,20);
InChIKeyIYAWYXDZBKZLKW-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.42
Rot. Bonds3

About 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide

4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide (PubChem CID 158839426) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide.

Molecular Properties

Compound Name4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
PubChem CID158839426
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
SMILESCc1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1.O=S=O
InChIInChI=1S/C17H15N3O2.O2S/c1-10-5-6-15-13(7-10)16(14(9-19-15)17(18)22)20-11-3-2-4-12(21)8-11;1-3-2/h2-9,21H,1H3,(H2,18,22)(H,19,20);
InChIKeyIYAWYXDZBKZLKW-UHFFFAOYSA-N
XLogP2.42
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
CID 58946117
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
6-methyl-4-N-phenylquinoline-3,4-diamine
CID 142830758
4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
CID 156547228
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
4-(3-methoxyanilino)-6-[2-(2-methylpropanoylamino)ethylsulfanyl]quinoline-3-carboxamide
CID 142969698
4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
CID 22076446

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide?
The IUPAC name of 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide (CID 158839426) is 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide.
What is the SMILES notation for 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide?
The canonical SMILES for 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide is Cc1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1.O=S=O.
What is the InChIKey of 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide?
The InChIKey is IYAWYXDZBKZLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.O2S/c1-10-5-6-15-13(7-10)16(14(9-19-15)17(18)22)20-11-3-2-4-12(21)8-11;1-3-2/h2-9,21H,1H3,(H2,18,22)(H,19,20);.
What are the key properties of 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide?
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide has a molecular weight of 357.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 158839426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).