2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

C21H25NO5 — CID 118609743

IUPAC2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCCOc1ccc2c(c1)CC(C)n1c-2cc(OC[C@@H]2COCCO2)cc1=O
InChIInChI=1S/C21H25NO5/c1-3-25-16-4-5-19-15(9-16)8-14(2)22-20(19)10-17(11-21(22)23)27-13-18-12-24-6-7-26-18/h4-5,9-11,14,18H,3,6-8,12-13H2,1-2H3/t14?,18-/m0/s1
InChIKeyKRUXSGGRDKJNIK-IBYPIGCZSA-N
MW371.43 g/mol
LogP2.83
Rot. Bonds5

About 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118609743) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118609743
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCCOc1ccc2c(c1)CC(C)n1c-2cc(OC[C@@H]2COCCO2)cc1=O
InChIInChI=1S/C21H25NO5/c1-3-25-16-4-5-19-15(9-16)8-14(2)22-20(19)10-17(11-21(22)23)27-13-18-12-24-6-7-26-18/h4-5,9-11,14,18H,3,6-8,12-13H2,1-2H3/t14?,18-/m0/s1
InChIKeyKRUXSGGRDKJNIK-IBYPIGCZSA-N
XLogP2.83
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

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Related Compounds

9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609840
4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 145172990
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(2-methoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616974
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one
CID 166529900
2-(1,4-dioxan-2-ylmethoxy)-9-[(3-methyl-1,2-oxazol-5-yl)methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617445
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
1-[[4-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]pyridin-2-one
CID 167175823
2-(1,4-dioxan-2-ylmethoxy)-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609950
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
1-[3-(2-cyclopropylethynyl)phenyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyridin-2-one
CID 164856136

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118609743) is 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is CCOc1ccc2c(c1)CC(C)n1c-2cc(OC[C@@H]2COCCO2)cc1=O.
What is the InChIKey of 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is KRUXSGGRDKJNIK-IBYPIGCZSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-25-16-4-5-19-15(9-16)8-14(2)22-20(19)10-17(11-21(22)23)27-13-18-12-24-6-7-26-18/h4-5,9-11,14,18H,3,6-8,12-13H2,1-2H3/t14?,18-/m0/s1.
What are the key properties of 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 371.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).