4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide

C18H17N3O4S — CID 44564897

IUPAC4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
SMILESCOc1cccc(Nc2cc(C(N)=O)nc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)20-16-10-17(18(19)22)21-15-7-6-13(9-14(15)16)26(2,23)24/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyYCRVXZSEMJOWLG-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.49
Rot. Bonds5

About 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide

4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide (PubChem CID 44564897) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
PubChem CID44564897
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
SMILESCOc1cccc(Nc2cc(C(N)=O)nc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)20-16-10-17(18(19)22)21-15-7-6-13(9-14(15)16)26(2,23)24/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyYCRVXZSEMJOWLG-UHFFFAOYSA-N
XLogP2.49
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
CID 22417962
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-methoxyanilino)-2-(3-methoxyphenyl)quinoline-3,6-dicarboxamide
CID 69431335
6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
CID 82562597
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-(diaminomethylidene)-4-(3-methoxyanilino)-2-methyl-5-methylsulfonylbenzamide
CID 18930160
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide (CID 44564897) is 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide is COc1cccc(Nc2cc(C(N)=O)nc3ccc(S(C)(=O)=O)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide?
The InChIKey is YCRVXZSEMJOWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)20-16-10-17(18(19)22)21-15-7-6-13(9-14(15)16)26(2,23)24/h3-10H,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide?
4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide is sourced from PubChem (CID 44564897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).