ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate

C16H17NO2 — CID 158045826

IUPACethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)C1=CN2CCc3ccccc3C2=CC1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)13-7-8-15-14-6-4-3-5-12(14)9-10-17(15)11-13/h3-6,8,11H,2,7,9-10H2,1H3
InChIKeyFIWZZSKRSPYZJC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds2

About ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate

ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate (PubChem CID 158045826) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate
PubChem CID158045826
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)C1=CN2CCc3ccccc3C2=CC1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)13-7-8-15-14-6-4-3-5-12(14)9-10-17(15)11-13/h3-6,8,11H,2,7,9-10H2,1H3
InChIKeyFIWZZSKRSPYZJC-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate?
The IUPAC name of ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate (CID 158045826) is ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate.
What is the SMILES notation for ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate?
The canonical SMILES for ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate is CCOC(=O)C1=CN2CCc3ccccc3C2=CC1.
What is the InChIKey of ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate?
The InChIKey is FIWZZSKRSPYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-16(18)13-7-8-15-14-6-4-3-5-12(14)9-10-17(15)11-13/h3-6,8,11H,2,7,9-10H2,1H3.
What are the key properties of ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate?
ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylate is sourced from PubChem (CID 158045826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).