diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate

C24H26N2O5 — CID 23794912

IUPACdiethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
SMILESCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OCC)cc23)cc1
InChIInChI=1S/C24H26N2O5/c1-4-13-31-18-10-8-17(9-11-18)26-22-19-14-16(23(27)29-5-2)7-12-21(19)25-15-20(22)24(28)30-6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,26)
InChIKeyIRERDPJZGTUYEC-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.12
Rot. Bonds9

About diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate

diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate (PubChem CID 23794912) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
PubChem CID23794912
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namediethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
SMILESCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OCC)cc23)cc1
InChIInChI=1S/C24H26N2O5/c1-4-13-31-18-10-8-17(9-11-18)26-22-19-14-16(23(27)29-5-2)7-12-21(19)25-15-20(22)24(28)30-6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,26)
InChIKeyIRERDPJZGTUYEC-UHFFFAOYSA-N
XLogP5.12
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
ethyl 4-[4-(3-morpholin-4-ylpropoxy)anilino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 122193391
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate?
The IUPAC name of diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate (CID 23794912) is diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate?
The canonical SMILES for diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate is CCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OCC)cc23)cc1.
What is the InChIKey of diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate?
The InChIKey is IRERDPJZGTUYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-13-31-18-10-8-17(9-11-18)26-22-19-14-16(23(27)29-5-2)7-12-21(19)25-15-20(22)24(28)30-6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,26).
What are the key properties of diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate?
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate has a molecular weight of 422.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate is sourced from PubChem (CID 23794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).