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

C20H23NO5 — CID 118251775

IUPAC2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCOc1cc2c(cc1OCCC)-c1cc(=O)c(C(=O)O)cn1CC2
InChIInChI=1S/C20H23NO5/c1-3-7-25-18-9-13-5-6-21-12-15(20(23)24)17(22)11-16(21)14(13)10-19(18)26-8-4-2/h9-12H,3-8H2,1-2H3,(H,23,24)
InChIKeyWYMCDLGWFFEZDI-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.35
Rot. Bonds7

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

2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251775) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251775
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCOc1cc2c(cc1OCCC)-c1cc(=O)c(C(=O)O)cn1CC2
InChIInChI=1S/C20H23NO5/c1-3-7-25-18-9-13-5-6-21-12-15(20(23)24)17(22)11-16(21)14(13)10-19(18)26-8-4-2/h9-12H,3-8H2,1-2H3,(H,23,24)
InChIKeyWYMCDLGWFFEZDI-UHFFFAOYSA-N
XLogP3.35
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4-carboxyphenyl)propoxy]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602227
9-(3-methoxypropoxy)-2-oxo-10-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336264
9-(3-methoxypropoxy)-10-(4-methylphenyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 142624576
10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138692243
10-(5-ethyl-1,3,4-oxadiazol-2-yl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336255
10-(2-fluorophenyl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 142624530
10-(3,6-dimethoxypyridazin-4-yl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336092
9-(3-methoxypropoxy)-10-(2-methylpyrazol-3-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;2-methylpropane
CID 142624459
10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane
CID 145449975
6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
CID 146180846
9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118279142
ethane;ethyl 10-methoxy-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;propane
CID 145449973

Frequently Asked Questions

What is the IUPAC name of 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251775) is 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCCOc1cc2c(cc1OCCC)-c1cc(=O)c(C(=O)O)cn1CC2.
What is the InChIKey of 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is WYMCDLGWFFEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-7-25-18-9-13-5-6-21-12-15(20(23)24)17(22)11-16(21)14(13)10-19(18)26-8-4-2/h9-12H,3-8H2,1-2H3,(H,23,24).
What are the key properties of 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).