ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate

C19H19Cl2NO2 — CID 10133351

IUPACethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)C1CC(c2ccccc2C)c2c(Cl)cc(Cl)cc2N1
InChIInChI=1S/C19H19Cl2NO2/c1-3-24-19(23)17-10-14(13-7-5-4-6-11(13)2)18-15(21)8-12(20)9-16(18)22-17/h4-9,14,17,22H,3,10H2,1-2H3
InChIKeyAVQVZGQPCMAFIR-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.18
Rot. Bonds3

About ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate

ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate (PubChem CID 10133351) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate
PubChem CID10133351
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Nameethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)C1CC(c2ccccc2C)c2c(Cl)cc(Cl)cc2N1
InChIInChI=1S/C19H19Cl2NO2/c1-3-24-19(23)17-10-14(13-7-5-4-6-11(13)2)18-15(21)8-12(20)9-16(18)22-17/h4-9,14,17,22H,3,10H2,1-2H3
InChIKeyAVQVZGQPCMAFIR-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 95990402
dimethyl (2S,4S)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate
CID 15168461
2,2-dimethylpropanoyloxymethyl 5,7-dichloro-4-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 19747485
[4-(4-tert-butylphenyl)-5,7-dichloro-1,2,3,4-tetrahydroquinolin-2-yl] ethyl carbonate
CID 70107816
(2-ethoxycarbonyl-1,2,3,4-tetrahydroquinolin-4-yl)methylphosphonic acid
CID 56629985
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958
methyl (2R,4S)-5,7-dichloro-4-(phenoxycarbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 15168541
hexyl (2R,4S)-4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 67691130
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
CID 75138329
CID 159251036
CID 159251036
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
CID 70480202

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate (CID 10133351) is ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate is CCOC(=O)C1CC(c2ccccc2C)c2c(Cl)cc(Cl)cc2N1.
What is the InChIKey of ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The InChIKey is AVQVZGQPCMAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-3-24-19(23)17-10-14(13-7-5-4-6-11(13)2)18-15(21)8-12(20)9-16(18)22-17/h4-9,14,17,22H,3,10H2,1-2H3.
What are the key properties of ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate?
ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate has a molecular weight of 364.27 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dichloro-4-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 10133351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).