1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

C19H31N3O2 — CID 83957001

IUPAC1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCCC1c2c(OC)cc(CN3CCNCC3)c(OC)c2CCN1C
InChIInChI=1S/C19H31N3O2/c1-5-16-18-15(6-9-21(16)2)19(24-4)14(12-17(18)23-3)13-22-10-7-20-8-11-22/h12,16,20H,5-11,13H2,1-4H3
InChIKeyRQNGNAOMAXAESW-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.05
Rot. Bonds5

About 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 83957001) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID83957001
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCCC1c2c(OC)cc(CN3CCNCC3)c(OC)c2CCN1C
InChIInChI=1S/C19H31N3O2/c1-5-16-18-15(6-9-21(16)2)19(24-4)14(12-17(18)23-3)13-22-10-7-20-8-11-22/h12,16,20H,5-11,13H2,1-4H3
InChIKeyRQNGNAOMAXAESW-UHFFFAOYSA-N
XLogP2.05
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-diethyl-5,8-dimethoxy-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721755
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721746
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 83957001) is 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is CCC1c2c(OC)cc(CN3CCNCC3)c(OC)c2CCN1C.
What is the InChIKey of 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is RQNGNAOMAXAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-16-18-15(6-9-21(16)2)19(24-4)14(12-17(18)23-3)13-22-10-7-20-8-11-22/h12,16,20H,5-11,13H2,1-4H3.
What are the key properties of 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 333.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 83957001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).