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

C20H23NO6 — CID 118251676

IUPAC6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C20H23NO6/c1-4-13-7-12-8-19(27-6-5-25-2)18(26-3)9-14(12)16-10-17(22)15(20(23)24)11-21(13)16/h8-11,13H,4-7H2,1-3H3,(H,23,24)
InChIKeyOEFTWGNHWKMKKW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.75
Rot. Bonds7

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

6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251676) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251676
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C20H23NO6/c1-4-13-7-12-8-19(27-6-5-25-2)18(26-3)9-14(12)16-10-17(22)15(20(23)24)11-21(13)16/h8-11,13H,4-7H2,1-3H3,(H,23,24)
InChIKeyOEFTWGNHWKMKKW-UHFFFAOYSA-N
XLogP2.75
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251676) is 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCC1Cc2cc(OCCOC)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is OEFTWGNHWKMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-13-7-12-8-19(27-6-5-25-2)18(26-3)9-14(12)16-10-17(22)15(20(23)24)11-21(13)16/h8-11,13H,4-7H2,1-3H3,(H,23,24).
What are the key properties of 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).