9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

C22H27NO5 — CID 118609947

IUPAC9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)-c1c(C)c(OCC3CCOCC3)cc(=O)n1CC2
InChIInChI=1S/C22H27NO5/c1-14-18(28-13-15-5-8-27-9-6-15)12-21(24)23-7-4-16-10-19(25-2)20(26-3)11-17(16)22(14)23/h10-12,15H,4-9,13H2,1-3H3
InChIKeyLTXWOGGOOOALOR-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.20
Rot. Bonds5

About 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118609947) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118609947
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)-c1c(C)c(OCC3CCOCC3)cc(=O)n1CC2
InChIInChI=1S/C22H27NO5/c1-14-18(28-13-15-5-8-27-9-6-15)12-21(24)23-7-4-16-10-19(25-2)20(26-3)11-17(16)22(14)23/h10-12,15H,4-9,13H2,1-3H3
InChIKeyLTXWOGGOOOALOR-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

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Related Compounds

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
[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
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
8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610055
9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 90242406
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
2-(1,4-dioxan-2-ylmethylamino)-10-hydroxy-9-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610020
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 666085
2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91904578
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
9-(2,2-difluoroethoxy)-1-methyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122650356
2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118609947) is 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is COc1cc2c(cc1OC)-c1c(C)c(OCC3CCOCC3)cc(=O)n1CC2.
What is the InChIKey of 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is LTXWOGGOOOALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-14-18(28-13-15-5-8-27-9-6-15)12-21(24)23-7-4-16-10-19(25-2)20(26-3)11-17(16)22(14)23/h10-12,15H,4-9,13H2,1-3H3.
What are the key properties of 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 385.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).