ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate

C23H25N3O3 — CID 25020285

IUPACethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C(=O)N(C)C)cc2c1Nc1c(C)cccc1C
InChIInChI=1S/C23H25N3O3/c1-6-29-23(28)18-13-24-19-11-10-16(22(27)26(4)5)12-17(19)21(18)25-20-14(2)8-7-9-15(20)3/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyQDBYCEOBGFKHKV-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.47
Rot. Bonds5

About ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate

ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate (PubChem CID 25020285) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
PubChem CID25020285
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Nameethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C(=O)N(C)C)cc2c1Nc1c(C)cccc1C
InChIInChI=1S/C23H25N3O3/c1-6-29-23(28)18-13-24-19-11-10-16(22(27)26(4)5)12-17(19)21(18)25-20-14(2)8-7-9-15(20)3/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyQDBYCEOBGFKHKV-UHFFFAOYSA-N
XLogP4.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate
CID 17016475
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
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
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
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
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate (CID 25020285) is ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C(=O)N(C)C)cc2c1Nc1c(C)cccc1C.
What is the InChIKey of ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate?
The InChIKey is QDBYCEOBGFKHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-6-29-23(28)18-13-24-19-11-10-16(22(27)26(4)5)12-17(19)21(18)25-20-14(2)8-7-9-15(20)3/h7-13H,6H2,1-5H3,(H,24,25).
What are the key properties of ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate?
ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate is sourced from PubChem (CID 25020285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).