5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide

C21H20N4O4S — CID 2531341

IUPAC5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)nc2c1
InChIInChI=1S/C21H20N4O4S/c1-11-5-19(25-17-9-15(29-2)3-4-16(11)17)30-10-18(26)24-14-7-12(20(22)27)6-13(8-14)21(23)28/h3-9H,10H2,1-2H3,(H2,22,27)(H2,23,28)(H,24,26)
InChIKeyPRXMFACVCAICDG-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.48
Rot. Bonds7

About 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide

5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 2531341) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
PubChem CID2531341
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)nc2c1
InChIInChI=1S/C21H20N4O4S/c1-11-5-19(25-17-9-15(29-2)3-4-16(11)17)30-10-18(26)24-14-7-12(20(22)27)6-13(8-14)21(23)28/h3-9H,10H2,1-2H3,(H2,22,27)(H2,23,28)(H,24,26)
InChIKeyPRXMFACVCAICDG-UHFFFAOYSA-N
XLogP2.48
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
Phenyl-acetic acid N'-[2-(3-cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1374312
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2083100
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 2241257
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2588947
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 5046601
N-{3-[ethyl(3-methylphenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990466
N-{3-[ethyl(phenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990468
7-ethoxy-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53320155
N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 2085552
N-cyclopentyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 2086708

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide (CID 2531341) is 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide is COc1ccc2c(C)cc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)nc2c1.
What is the InChIKey of 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is PRXMFACVCAICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-11-5-19(25-17-9-15(29-2)3-4-16(11)17)30-10-18(26)24-14-7-12(20(22)27)6-13(8-14)21(23)28/h3-9H,10H2,1-2H3,(H2,22,27)(H2,23,28)(H,24,26).
What are the key properties of 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 2531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).