8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

C22H27NO5 — CID 118610055

IUPAC8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc2c(c1OC)CCn1c-2c(C)c(OCC2CCCCO2)cc1=O
InChIInChI=1S/C22H27NO5/c1-14-19(28-13-15-6-4-5-11-27-15)12-20(24)23-10-9-17-16(21(14)23)7-8-18(25-2)22(17)26-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3
InChIKeyUZZUODQLDPYOMO-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.34
Rot. Bonds5

About 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118610055) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118610055
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc2c(c1OC)CCn1c-2c(C)c(OCC2CCCCO2)cc1=O
InChIInChI=1S/C22H27NO5/c1-14-19(28-13-15-6-4-5-11-27-15)12-20(24)23-10-9-17-16(21(14)23)7-8-18(25-2)22(17)26-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3
InChIKeyUZZUODQLDPYOMO-UHFFFAOYSA-N
XLogP3.34
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118615118
8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609752
9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609947
[2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-4-oxo-6,7-dihydrobenzo[a]quinolizin-9-yl]methanesulfonic acid
CID 162768829
9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118615158
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
9-(2,2-difluoroethoxy)-4-(1,4-dioxan-2-ylmethylamino)-8-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641877
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline
CID 169416361
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118610055) is 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is COc1ccc2c(c1OC)CCn1c-2c(C)c(OCC2CCCCO2)cc1=O.
What is the InChIKey of 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is UZZUODQLDPYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-14-19(28-13-15-6-4-5-11-27-15)12-20(24)23-10-9-17-16(21(14)23)7-8-18(25-2)22(17)26-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3.
What are the key properties of 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 385.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118610055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).