4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide

C20H21N3O4S — CID 54672856

IUPAC4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NCCS(C)(=O)=O)cc12
InChIInChI=1S/C20H21N3O4S/c1-13-3-5-15(24)12-19(13)23-18-7-8-21-17-6-4-14(11-16(17)18)20(25)22-9-10-28(2,26)27/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJKJLDPQFNAMZGO-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.77
Rot. Bonds6

About 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide

4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide (PubChem CID 54672856) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
PubChem CID54672856
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NCCS(C)(=O)=O)cc12
InChIInChI=1S/C20H21N3O4S/c1-13-3-5-15(24)12-19(13)23-18-7-8-21-17-6-4-14(11-16(17)18)20(25)22-9-10-28(2,26)27/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJKJLDPQFNAMZGO-UHFFFAOYSA-N
XLogP2.77
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-8-carboxamide
CID 118339805
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
(E)-3-[2-methyl-5-(2-methylsulfonylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 81460577
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
CID 72859306
4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide
CID 118339808

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide?
The IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide (CID 54672856) is 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide?
The canonical SMILES for 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide is Cc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NCCS(C)(=O)=O)cc12.
What is the InChIKey of 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide?
The InChIKey is JKJLDPQFNAMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-3-5-15(24)12-19(13)23-18-7-8-21-17-6-4-14(11-16(17)18)20(25)22-9-10-28(2,26)27/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide?
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 54672856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).