diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate

C25H25NO6 — CID 177434529

IUPACdiethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate
SMILESCCOC(=O)c1c(/C=C/c2cc(OC)ccc2OC)nc2ccccc2c1C(=O)OCC
InChIInChI=1S/C25H25NO6/c1-5-31-24(27)22-18-9-7-8-10-19(18)26-20(23(22)25(28)32-6-2)13-11-16-15-17(29-3)12-14-21(16)30-4/h7-15H,5-6H2,1-4H3/b13-11+
InChIKeyQAGMADFBLHQGPF-ACCUITESSA-N
MW435.48 g/mol
LogP4.78
Rot. Bonds8

About diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate

diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate (PubChem CID 177434529) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate
PubChem CID177434529
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Namediethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate
SMILESCCOC(=O)c1c(/C=C/c2cc(OC)ccc2OC)nc2ccccc2c1C(=O)OCC
InChIInChI=1S/C25H25NO6/c1-5-31-24(27)22-18-9-7-8-10-19(18)26-20(23(22)25(28)32-6-2)13-11-16-15-17(29-3)12-14-21(16)30-4/h7-15H,5-6H2,1-4H3/b13-11+
InChIKeyQAGMADFBLHQGPF-ACCUITESSA-N
XLogP4.78
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenylquinoline-3-carboxylate
CID 102393462
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7875368
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
diethyl 2-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762216
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
diethyl 5-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3544060
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30344284
1,3-benzothiazol-2-ylmethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949438

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate?
The IUPAC name of diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate (CID 177434529) is diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate is CCOC(=O)c1c(/C=C/c2cc(OC)ccc2OC)nc2ccccc2c1C(=O)OCC.
What is the InChIKey of diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate?
The InChIKey is QAGMADFBLHQGPF-ACCUITESSA-N. The full InChI is InChI=1S/C25H25NO6/c1-5-31-24(27)22-18-9-7-8-10-19(18)26-20(23(22)25(28)32-6-2)13-11-16-15-17(29-3)12-14-21(16)30-4/h7-15H,5-6H2,1-4H3/b13-11+.
What are the key properties of diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate?
diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate has a molecular weight of 435.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate is sourced from PubChem (CID 177434529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).