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

C25H20N2O6 — CID 1222132

IUPACdimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1
InChIInChI=1S/C25H20N2O6/c1-14-8-11-22(33-14)21-13-18(16-6-4-5-7-19(16)26-21)23(28)27-20-12-15(24(29)31-2)9-10-17(20)25(30)32-3/h4-13H,1-3H3,(H,27,28)
InChIKeyJEKSONZBBWBYJI-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.63
Rot. Bonds5

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

dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 1222132) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID1222132
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Namedimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1
InChIInChI=1S/C25H20N2O6/c1-14-8-11-22(33-14)21-13-18(16-6-4-5-7-19(16)26-21)23(28)27-20-12-15(24(29)31-2)9-10-17(20)25(30)32-3/h4-13H,1-3H3,(H,27,28)
InChIKeyJEKSONZBBWBYJI-UHFFFAOYSA-N
XLogP4.63
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 3554814
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate (CID 1222132) is dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1.
What is the InChIKey of dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is JEKSONZBBWBYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-14-8-11-22(33-14)21-13-18(16-6-4-5-7-19(16)26-21)23(28)27-20-12-15(24(29)31-2)9-10-17(20)25(30)32-3/h4-13H,1-3H3,(H,27,28).
What are the key properties of dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 444.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 1222132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).