ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate

C22H24N2O3 — CID 6621000

IUPACethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-4-26-17-11-12-20-18(13-17)21(19(14-23-20)22(25)27-5-2)24(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3
InChIKeyFTGFLMLLQAIYGW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.45
Rot. Bonds7

About ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate

ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate (PubChem CID 6621000) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
PubChem CID6621000
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-4-26-17-11-12-20-18(13-17)21(19(14-23-20)22(25)27-5-2)24(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3
InChIKeyFTGFLMLLQAIYGW-UHFFFAOYSA-N
XLogP4.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate (CID 6621000) is ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc1ccccc1.
What is the InChIKey of ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate?
The InChIKey is FTGFLMLLQAIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-26-17-11-12-20-18(13-17)21(19(14-23-20)22(25)27-5-2)24(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3.
What are the key properties of ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate?
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 6621000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).