ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate

C23H26N2O3 — CID 22333888

IUPACethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-27-18-11-12-21-19(13-18)22(20(14-24-21)23(26)28-6-2)25-17-9-7-16(8-10-17)15(3)4/h7-15H,5-6H2,1-4H3,(H,24,25)
InChIKeyBCIMVJRTPDDPEJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.68
Rot. Bonds7

About ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate

ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate (PubChem CID 22333888) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
PubChem CID22333888
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Nameethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-27-18-11-12-21-19(13-18)22(20(14-24-21)23(26)28-6-2)25-17-9-7-16(8-10-17)15(3)4/h7-15H,5-6H2,1-4H3,(H,24,25)
InChIKeyBCIMVJRTPDDPEJ-UHFFFAOYSA-N
XLogP5.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate (CID 22333888) is ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate?
The InChIKey is BCIMVJRTPDDPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-27-18-11-12-21-19(13-18)22(20(14-24-21)23(26)28-6-2)25-17-9-7-16(8-10-17)15(3)4/h7-15H,5-6H2,1-4H3,(H,24,25).
What are the key properties of ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate?
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 22333888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).