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

C29H26N2O8 — CID 2089041

IUPACdimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C29H26N2O8/c1-35-24-13-17(14-25(36-2)26(24)37-3)22-15-20(18-8-6-7-9-21(18)30-22)27(32)31-23-12-16(28(33)38-4)10-11-19(23)29(34)39-5/h6-15H,1-5H3,(H,31,32)
InChIKeyNIARWAOPKZGKKT-UHFFFAOYSA-N
MW530.53 g/mol
LogP4.75
Rot. Bonds8

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

dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 2089041) has the molecular formula C29H26N2O8 and a molecular weight of 530.53 g/mol. Its IUPAC name is dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID2089041
Molecular FormulaC29H26N2O8
Molecular Weight530.53 g/mol
Exact Mass530.17
IUPAC Namedimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C29H26N2O8/c1-35-24-13-17(14-25(36-2)26(24)37-3)22-15-20(18-8-6-7-9-21(18)30-22)27(32)31-23-12-16(28(33)38-4)10-11-19(23)29(34)39-5/h6-15H,1-5H3,(H,31,32)
InChIKeyNIARWAOPKZGKKT-UHFFFAOYSA-N
XLogP4.75
TPSA122.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55782729
dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 1222132
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46461794
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate (CID 2089041) is dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1.
What is the InChIKey of dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is NIARWAOPKZGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O8/c1-35-24-13-17(14-25(36-2)26(24)37-3)22-15-20(18-8-6-7-9-21(18)30-22)27(32)31-23-12-16(28(33)38-4)10-11-19(23)29(34)39-5/h6-15H,1-5H3,(H,31,32).
What are the key properties of dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 530.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 2089041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).