8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

C20H23NO5 — CID 118609752

IUPAC8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc(OC)c2c1CCn1c-2cc(OCC2CCCO2)cc1=O
InChIInChI=1S/C20H23NO5/c1-23-17-5-6-18(24-2)20-15(17)7-8-21-16(20)10-14(11-19(21)22)26-12-13-4-3-9-25-13/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3
InChIKeyOCHOZSXGGJMJSU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.65
Rot. Bonds5

About 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118609752) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118609752
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc(OC)c2c1CCn1c-2cc(OCC2CCCO2)cc1=O
InChIInChI=1S/C20H23NO5/c1-23-17-5-6-18(24-2)20-15(17)7-8-21-16(20)10-14(11-19(21)22)26-12-13-4-3-9-25-13/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3
InChIKeyOCHOZSXGGJMJSU-UHFFFAOYSA-N
XLogP2.65
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610055
8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118615118
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3471344
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107
[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl] methanesulfonate
CID 118875305
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7488544
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7547261

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118609752) is 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is COc1ccc(OC)c2c1CCn1c-2cc(OCC2CCCO2)cc1=O.
What is the InChIKey of 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is OCHOZSXGGJMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-17-5-6-18(24-2)20-15(17)7-8-21-16(20)10-14(11-19(21)22)26-12-13-4-3-9-25-13/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3.
What are the key properties of 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 357.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).