N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide

C20H20N2O4S — CID 39862992

IUPACN-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1
InChIInChI=1S/C20H20N2O4S/c1-4-27(24,25)17-8-5-15(6-9-17)22-20(23)18-12-14-11-16(26-3)7-10-19(14)21-13(18)2/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyIBFGFMKZQUOZLQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.60
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide

N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 39862992) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID39862992
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1
InChIInChI=1S/C20H20N2O4S/c1-4-27(24,25)17-8-5-15(6-9-17)22-20(23)18-12-14-11-16(26-3)7-10-19(14)21-13(18)2/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyIBFGFMKZQUOZLQ-UHFFFAOYSA-N
XLogP3.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
CID 33075683
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
CID 33261281
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
CID 55466865

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide (CID 39862992) is N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is IBFGFMKZQUOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-4-27(24,25)17-8-5-15(6-9-17)22-20(23)18-12-14-11-16(26-3)7-10-19(14)21-13(18)2/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 39862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).