6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C18H19NO3 — CID 118251807

IUPAC6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(C)c(C)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C18H19NO3/c1-4-13-7-12-5-10(2)11(3)6-14(12)16-8-17(20)15(18(21)22)9-19(13)16/h5-6,8-9,13H,4,7H2,1-3H3,(H,21,22)
InChIKeyZNNUPMIVGDDFDV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.34
Rot. Bonds2

About 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251807) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251807
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(C)c(C)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C18H19NO3/c1-4-13-7-12-5-10(2)11(3)6-14(12)16-8-17(20)15(18(21)22)9-19(13)16/h5-6,8-9,13H,4,7H2,1-3H3,(H,21,22)
InChIKeyZNNUPMIVGDDFDV-UHFFFAOYSA-N
XLogP3.34
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251807) is 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCC1Cc2cc(C)c(C)cc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is ZNNUPMIVGDDFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-13-7-12-5-10(2)11(3)6-14(12)16-8-17(20)15(18(21)22)9-19(13)16/h5-6,8-9,13H,4,7H2,1-3H3,(H,21,22).
What are the key properties of 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).