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

C21H23NO5 — CID 118251717

IUPAC9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OCC3CC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C21H23NO5/c1-3-14-6-13-7-20(27-11-12-4-5-12)19(26-2)8-15(13)17-9-18(23)16(21(24)25)10-22(14)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,24,25)
InChIKeyDUBVTXDLHVBXGK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.52
Rot. Bonds6

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

9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251717) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251717
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OCC3CC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C21H23NO5/c1-3-14-6-13-7-20(27-11-12-4-5-12)19(26-2)8-15(13)17-9-18(23)16(21(24)25)10-22(14)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,24,25)
InChIKeyDUBVTXDLHVBXGK-UHFFFAOYSA-N
XLogP3.52
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-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

Related Compounds

6-Isopropyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid
CID 118251708
6-Tert-butyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251915
(S)-6-Isopropyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid
CID 118261815
9-[(6-Fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 168277461
Hbv-IN-24
CID 164517103
(6S)-9-(1,3-benzodioxol-5-ylmethoxy)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 168270378
10-Methoxy-2-oxo-9-(oxolan-3-ylmethoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 168293227
9-(2,3-Dihydro-1,4-benzodioxin-6-ylmethoxy)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 168296259
6-Ethyl-10-methoxy-9-(2-methoxyethoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251676
10-Cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251684
9-(2,2-Difluoroethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251694
6-Ethyl-10-methoxy-9-[2-(2-methoxyethoxyl)ethoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251700

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251717) is 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCC1Cc2cc(OCC3CC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is DUBVTXDLHVBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-14-6-13-7-20(27-11-12-4-5-12)19(26-2)8-15(13)17-9-18(23)16(21(24)25)10-22(14)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,24,25).
What are the key properties of 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 369.42 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 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).