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

C20H23NO5 — CID 118251737

IUPAC6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C20H23NO5/c1-4-6-26-19-8-12-7-13(5-2)21-11-15(20(23)24)17(22)10-16(21)14(12)9-18(19)25-3/h8-11,13H,4-7H2,1-3H3,(H,23,24)
InChIKeyZDCSNDGXGFXYRH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.52
Rot. Bonds6

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

6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251737) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251737
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C20H23NO5/c1-4-6-26-19-8-12-7-13(5-2)21-11-15(20(23)24)17(22)10-16(21)14(12)9-18(19)25-3/h8-11,13H,4-7H2,1-3H3,(H,23,24)
InChIKeyZDCSNDGXGFXYRH-UHFFFAOYSA-N
XLogP3.52
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251737) is 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2.
What is the InChIKey of 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is ZDCSNDGXGFXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-6-26-19-8-12-7-13(5-2)21-11-15(20(23)24)17(22)10-16(21)14(12)9-18(19)25-3/h8-11,13H,4-7H2,1-3H3,(H,23,24).
What are the key properties of 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methoxy-2-oxo-9-propoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).