8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one

C20H24N2O4 — CID 118615118

IUPAC8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc2c(c1OC)CCn1c-2cc(NCC2CCCO2)cc1=O
InChIInChI=1S/C20H24N2O4/c1-24-18-6-5-15-16(20(18)25-2)7-8-22-17(15)10-13(11-19(22)23)21-12-14-4-3-9-26-14/h5-6,10-11,14,21H,3-4,7-9,12H2,1-2H3
InChIKeyISZSJSHMICEVFF-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.68
Rot. Bonds5

About 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one

8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118615118) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118615118
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc2c(c1OC)CCn1c-2cc(NCC2CCCO2)cc1=O
InChIInChI=1S/C20H24N2O4/c1-24-18-6-5-15-16(20(18)25-2)7-8-22-17(15)10-13(11-19(22)23)21-12-14-4-3-9-26-14/h5-6,10-11,14,21H,3-4,7-9,12H2,1-2H3
InChIKeyISZSJSHMICEVFF-UHFFFAOYSA-N
XLogP2.68
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
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
9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609785
9-(2,2-difluoroethoxy)-10-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609845
10-(2,2-difluoroethoxy)-9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609797
8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609752
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118615118) is 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one is COc1ccc2c(c1OC)CCn1c-2cc(NCC2CCCO2)cc1=O.
What is the InChIKey of 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is ISZSJSHMICEVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-18-6-5-15-16(20(18)25-2)7-8-22-17(15)10-13(11-19(22)23)21-12-14-4-3-9-26-14/h5-6,10-11,14,21H,3-4,7-9,12H2,1-2H3.
What are the key properties of 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one?
8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 356.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).