ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate

C16H19NO2 — CID 71664082

IUPACethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2N2CCCCC12
InChIInChI=1S/C16H19NO2/c1-2-19-16(18)13-11-12-7-3-4-8-14(12)17-10-6-5-9-15(13)17/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKeyBCLBXLXIOKHXNB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.01
Rot. Bonds2

About ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate

ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate (PubChem CID 71664082) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate
PubChem CID71664082
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2N2CCCCC12
InChIInChI=1S/C16H19NO2/c1-2-19-16(18)13-11-12-7-3-4-8-14(12)17-10-6-5-9-15(13)17/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKeyBCLBXLXIOKHXNB-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 182588
1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19793437
2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340023
1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340030
2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340205
ethyl (E,4E)-2-cyano-4-(1-ethylquinolin-2-ylidene)but-2-enoate
CID 2323759
1-Ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340011
1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340073
1-Hexyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340224
1-(3-Methyl-butyl)-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340225
1-Butyl-3-ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363579
Ethyl 2-(dimethylamino)benzoate
CID 596366

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate?
The IUPAC name of ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate (CID 71664082) is ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate.
What is the SMILES notation for ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate?
The canonical SMILES for ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate is CCOC(=O)C1=Cc2ccccc2N2CCCCC12.
What is the InChIKey of ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate?
The InChIKey is BCLBXLXIOKHXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-19-16(18)13-11-12-7-3-4-8-14(12)17-10-6-5-9-15(13)17/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate?
ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,4,4a-tetrahydro-1H-benzo[c]quinolizine-5-carboxylate is sourced from PubChem (CID 71664082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).