benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C20H23NO2 — CID 142904428

IUPACbenzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCc1ccc2c(c1)C(C)CCN2C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-16-9-10-19-18(13-16)15(2)11-12-21(19)20(22)23-14-17-7-5-4-6-8-17/h4-10,13,15H,3,11-12,14H2,1-2H3
InChIKeyXDZNKOHJDIRLAI-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.90
Rot. Bonds3

About benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 142904428) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID142904428
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namebenzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCc1ccc2c(c1)C(C)CCN2C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-16-9-10-19-18(13-16)15(2)11-12-21(19)20(22)23-14-17-7-5-4-6-8-17/h4-10,13,15H,3,11-12,14H2,1-2H3
InChIKeyXDZNKOHJDIRLAI-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4-[[(3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-6-ethyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70884041
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[[(2R)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70331010
1-O-benzyl 7-O-ethyl 5-oxo-3,4-dihydro-2H-1-benzazepine-1,7-dicarboxylate
CID 162403341
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244

Frequently Asked Questions

What is the IUPAC name of benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 142904428) is benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCc1ccc2c(c1)C(C)CCN2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is XDZNKOHJDIRLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-16-9-10-19-18(13-16)15(2)11-12-21(19)20(22)23-14-17-7-5-4-6-8-17/h4-10,13,15H,3,11-12,14H2,1-2H3.
What are the key properties of benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 142904428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).