dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate

C23H22N2O5 — CID 9192352

IUPACdimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C23H22N2O5/c1-5-18-20(13(2)17-8-6-7-9-19(17)25-18)21(26)24-16-11-14(22(27)29-3)10-15(12-16)23(28)30-4/h6-12H,5H2,1-4H3,(H,24,26)
InChIKeyLYIPKJRQYNLZBH-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.93
Rot. Bonds5

About dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 9192352) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID9192352
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Namedimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C23H22N2O5/c1-5-18-20(13(2)17-8-6-7-9-19(17)25-18)21(26)24-16-11-14(22(27)29-3)10-15(12-16)23(28)30-4/h6-12H,5H2,1-4H3,(H,24,26)
InChIKeyLYIPKJRQYNLZBH-UHFFFAOYSA-N
XLogP3.93
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191575
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668101
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate (CID 9192352) is dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate is CCc1nc2ccccc2c(C)c1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is LYIPKJRQYNLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-5-18-20(13(2)17-8-6-7-9-19(17)25-18)21(26)24-16-11-14(22(27)29-3)10-15(12-16)23(28)30-4/h6-12H,5H2,1-4H3,(H,24,26).
What are the key properties of dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 406.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 9192352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).