2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

C24H26N2O6 — CID 144982882

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)-c1c(C)c(OC)cc(=O)n1CC2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C17H19NO4.C7H7NO2/c1-10-13(20-2)9-16(19)18-6-5-11-7-14(21-3)15(22-4)8-12(11)17(10)18;1-2-6-7(8-3-1)10-5-4-9-6/h7-9H,5-6H2,1-4H3;1-3H,4-5H2
InChIKeyFQSRBSFVAQZERJ-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.26
Rot. Bonds3

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 144982882) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID144982882
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)-c1c(C)c(OC)cc(=O)n1CC2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C17H19NO4.C7H7NO2/c1-10-13(20-2)9-16(19)18-6-5-11-7-14(21-3)15(22-4)8-12(11)17(10)18;1-2-6-7(8-3-1)10-5-4-9-6/h7-9H,5-6H2,1-4H3;1-3H,4-5H2
InChIKeyFQSRBSFVAQZERJ-UHFFFAOYSA-N
XLogP3.26
TPSA81.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Razpipadon
CID 86764103
GPR84 antagonist 8
CID 71598639
9-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethoxy)-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 168279206
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162656095
(3S)-3-{4-[(4-fluoropiperidin-1-yl)methyl]phenyl}-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66547961
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684578
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(2H-tetrazol-5-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684579
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(oxetan-3-yloxymethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684681
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-[(3-methyloxetan-3-yl)methoxymethyl]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684682
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684888
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(pyridin-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684899
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(1,3-oxazol-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76685017

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 144982882) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is COc1cc2c(cc1OC)-c1c(C)c(OC)cc(=O)n1CC2.c1cnc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is FQSRBSFVAQZERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4.C7H7NO2/c1-10-13(20-2)9-16(19)18-6-5-11-7-14(21-3)15(22-4)8-12(11)17(10)18;1-2-6-7(8-3-1)10-5-4-9-6/h7-9H,5-6H2,1-4H3;1-3H,4-5H2.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 438.48 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 144982882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).