3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate

C24H26N2O4 — CID 17016475

IUPAC3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1Nc1cccc(C)c1C
InChIInChI=1S/C24H26N2O4/c1-6-29-24(28)19-13-25-21-11-10-17(23(27)30-14(2)3)12-18(21)22(19)26-20-9-7-8-15(4)16(20)5/h7-14H,6H2,1-5H3,(H,25,26)
InChIKeyWBJLKTIFYZYNPC-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.34
Rot. Bonds6

About 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate

3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate (PubChem CID 17016475) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate
PubChem CID17016475
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1Nc1cccc(C)c1C
InChIInChI=1S/C24H26N2O4/c1-6-29-24(28)19-13-25-21-11-10-17(23(27)30-14(2)3)12-18(21)22(19)26-20-9-7-8-15(4)16(20)5/h7-14H,6H2,1-5H3,(H,25,26)
InChIKeyWBJLKTIFYZYNPC-UHFFFAOYSA-N
XLogP5.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate with MolForge

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Related Compounds

3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
CID 25020285
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063583
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
3-O-ethyl 6-O-methyl 4-(2-hydroxy-5-nitroanilino)quinoline-3,6-dicarboxylate
CID 23732315

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate?
The IUPAC name of 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate (CID 17016475) is 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate?
The canonical SMILES for 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate is CCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1Nc1cccc(C)c1C.
What is the InChIKey of 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate?
The InChIKey is WBJLKTIFYZYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-6-29-24(28)19-13-25-21-11-10-17(23(27)30-14(2)3)12-18(21)22(19)26-20-9-7-8-15(4)16(20)5/h7-14H,6H2,1-5H3,(H,25,26).
What are the key properties of 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate?
3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate has a molecular weight of 406.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate is sourced from PubChem (CID 17016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).