ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate

C20H26N2O3 — CID 696570

IUPACethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-3-24-15-10-11-18-16(12-15)19(22-14-8-6-5-7-9-14)17(13-21-18)20(23)25-4-2/h10-14H,3-9H2,1-2H3,(H,21,22)
InChIKeySUQYWJFPMXSAJL-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.55
Rot. Bonds6

About ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate

ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate (PubChem CID 696570) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
PubChem CID696570
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-3-24-15-10-11-18-16(12-15)19(22-14-8-6-5-7-9-14)17(13-21-18)20(23)25-4-2/h10-14H,3-9H2,1-2H3,(H,21,22)
InChIKeySUQYWJFPMXSAJL-UHFFFAOYSA-N
XLogP4.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.55
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
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
CID 118500047
ethyl 6-bromo-4-[(3-hydroxycyclobutyl)amino]quinoline-3-carboxylate
CID 118503001
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
ethyl 6-bromo-4-(cyclopropylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 151614277
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
CID 133338071

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate (CID 696570) is ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCC1.
What is the InChIKey of ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate?
The InChIKey is SUQYWJFPMXSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-24-15-10-11-18-16(12-15)19(22-14-8-6-5-7-9-14)17(13-21-18)20(23)25-4-2/h10-14H,3-9H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate?
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 696570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).