3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one

C17H19NO4 — CID 54705679

IUPAC3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCCc1c(O)cc2n(c1=O)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C17H19NO4/c1-4-11-14(19)9-13-12-8-16(22-3)15(21-2)7-10(12)5-6-18(13)17(11)20/h7-9,19H,4-6H2,1-3H3
InChIKeyCWMYGUCDDSBVQJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.36
Rot. Bonds3

About 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one

3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 54705679) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID54705679
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCCc1c(O)cc2n(c1=O)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C17H19NO4/c1-4-11-14(19)9-13-12-8-16(22-3)15(21-2)7-10(12)5-6-18(13)17(11)20/h7-9,19H,4-6H2,1-3H3
InChIKeyCWMYGUCDDSBVQJ-UHFFFAOYSA-N
XLogP2.36
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
CID 46848859
2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
CID 11833790
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
13-ethyl-2,3-dihydroxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
CID 70831135
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162642975
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
2-(4-butoxyphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 7093146
9,10-dimethoxy-2-(prop-2-enylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2020559
3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 3061953
8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 12748079
methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464199
ethyl 3-(3-fluorophenyl)-8-hydroxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199206

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one (CID 54705679) is 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one is CCc1c(O)cc2n(c1=O)CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is CWMYGUCDDSBVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-11-14(19)9-13-12-8-16(22-3)15(21-2)7-10(12)5-6-18(13)17(11)20/h7-9,19H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 301.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 54705679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).