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

C19H21NO5 — CID 118251727

IUPAC9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C19H21NO5/c1-4-12-6-11-7-18(25-5-2)17(24-3)8-13(11)15-9-16(21)14(19(22)23)10-20(12)15/h7-10,12H,4-6H2,1-3H3,(H,22,23)
InChIKeyDNGHIYAQZWYNAY-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.13
Rot. Bonds5

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

9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251727) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251727
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C19H21NO5/c1-4-12-6-11-7-18(25-5-2)17(24-3)8-13(11)15-9-16(21)14(19(22)23)10-20(12)15/h7-10,12H,4-6H2,1-3H3,(H,22,23)
InChIKeyDNGHIYAQZWYNAY-UHFFFAOYSA-N
XLogP3.13
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251727) is 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2.
What is the InChIKey of 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is DNGHIYAQZWYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-12-6-11-7-18(25-5-2)17(24-3)8-13(11)15-9-16(21)14(19(22)23)10-20(12)15/h7-10,12H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).