ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate

C20H21NO2 — CID 102220944

IUPACethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C)cc2C=C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C20H21NO2/c1-4-23-20(22)21-18(16-8-5-14(2)6-9-16)12-10-17-13-15(3)7-11-19(17)21/h5-13,18H,4H2,1-3H3/t18-/m1/s1
InChIKeyUFSGXOLGYOZVOL-GOSISDBHSA-N
MW307.39 g/mol
LogP5.03
Rot. Bonds2

About ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate

ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate (PubChem CID 102220944) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
PubChem CID102220944
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Nameethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C)cc2C=C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C20H21NO2/c1-4-23-20(22)21-18(16-8-5-14(2)6-9-16)12-10-17-13-15(3)7-11-19(17)21/h5-13,18H,4H2,1-3H3/t18-/m1/s1
InChIKeyUFSGXOLGYOZVOL-GOSISDBHSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-6-methyl-2-(4-phenylbut-1-ynyl)-2H-quinoline-1-carboxylate
CID 122452558
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
diethyl 2-(1-ethoxycarbonyl-2H-quinolin-2-yl)-2-methylpropanedioate
CID 101357708
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
diethyl 8-methyl-4-(2,2,2-trifluoroacetyl)-4aH-benzo[f]quinolizine-1,2-dicarboxylate
CID 135003555
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
1-O-ethyl 6-O-methyl (2S)-2-(2-trimethylsilylethynyl)-2H-quinoline-1,6-dicarboxylate
CID 134954251
ethyl (2E)-2-[9-methyl-3-(4-methylphenyl)sulfonyl-1-phenyl-4aH-pyrazino[1,2-a]quinolin-4-ylidene]acetate
CID 166558451
ethyl 2-(3-diazo-4-methoxy-2,4-dioxobutyl)-2H-quinoline-1-carboxylate
CID 101445569
ethyl 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline-6-carboxylate
CID 54598283
2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 141096762

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate (CID 102220944) is ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate is CCOC(=O)N1c2ccc(C)cc2C=C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate?
The InChIKey is UFSGXOLGYOZVOL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-23-20(22)21-18(16-8-5-14(2)6-9-16)12-10-17-13-15(3)7-11-19(17)21/h5-13,18H,4H2,1-3H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate?
ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate is sourced from PubChem (CID 102220944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).