1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one

C25H26N2O4 — CID 122641939

IUPAC1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c2n(c(OCC3CCCO3)cc1=O)CCc1cc(OCc3ccccn3)ccc1-2
InChIInChI=1S/C25H26N2O4/c1-17-23(28)14-24(31-16-21-6-4-12-29-21)27-11-9-18-13-20(7-8-22(18)25(17)27)30-15-19-5-2-3-10-26-19/h2-3,5,7-8,10,13-14,21H,4,6,9,11-12,15-16H2,1H3
InChIKeyQEPYZIPTGZUYAT-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.91
Rot. Bonds6

About 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one

1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 122641939) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID122641939
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c2n(c(OCC3CCCO3)cc1=O)CCc1cc(OCc3ccccn3)ccc1-2
InChIInChI=1S/C25H26N2O4/c1-17-23(28)14-24(31-16-21-6-4-12-29-21)27-11-9-18-13-20(7-8-22(18)25(17)27)30-15-19-5-2-3-10-26-19/h2-3,5,7-8,10,13-14,21H,4,6,9,11-12,15-16H2,1H3
InChIKeyQEPYZIPTGZUYAT-UHFFFAOYSA-N
XLogP3.91
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-2-one;4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-2-one
CID 161345212
4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 145172990
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(hydroxymethoxy)-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 146406571
9-(chloromethoxy)-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 170067506
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-9-pyridin-4-yl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641870
9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122650468
[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl] methanesulfonate
CID 118875305
2-(oxolan-2-ylmethoxy)-9-prop-2-enoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684487
methyl 1-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizin-9-yl]azetidine-3-carboxylate
CID 122642064
9-(2,6-dimethylphenyl)-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684677
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
9-butoxy-4-[[(2R)-1,4-dioxan-2-yl]methylamino]-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122650348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one (CID 122641939) is 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one is Cc1c2n(c(OCC3CCCO3)cc1=O)CCc1cc(OCc3ccccn3)ccc1-2.
What is the InChIKey of 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is QEPYZIPTGZUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-23(28)14-24(31-16-21-6-4-12-29-21)27-11-9-18-13-20(7-8-22(18)25(17)27)30-15-19-5-2-3-10-26-19/h2-3,5,7-8,10,13-14,21H,4,6,9,11-12,15-16H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 418.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 122641939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).