2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

C20H33N3O2 — CID 112721737

IUPAC2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2c(OC)cc(CN3CCN(C)CC3)c(OC)c2CC1C
InChIInChI=1S/C20H33N3O2/c1-6-23-14-18-17(11-15(23)2)20(25-5)16(12-19(18)24-4)13-22-9-7-21(3)8-10-22/h12,15H,6-11,13-14H2,1-5H3
InChIKeyNBJCTHVXAVNNPP-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.22
Rot. Bonds5

About 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112721737) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID112721737
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2c(OC)cc(CN3CCN(C)CC3)c(OC)c2CC1C
InChIInChI=1S/C20H33N3O2/c1-6-23-14-18-17(11-15(23)2)20(25-5)16(12-19(18)24-4)13-22-9-7-21(3)8-10-22/h12,15H,6-11,13-14H2,1-5H3
InChIKeyNBJCTHVXAVNNPP-UHFFFAOYSA-N
XLogP2.22
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-ethyl-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721593
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956970
2-ethyl-5,8-dimethoxy-1-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721746
4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721637
1,2-diethyl-5,8-dimethoxy-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 112721755
(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956740
methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721685
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83957001
1-[(2-dodecoxy-5-ethyl-3-methoxyphenyl)methyl]-4-methylpiperazine
CID 171784920
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 112721737) is 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is CCN1Cc2c(OC)cc(CN3CCN(C)CC3)c(OC)c2CC1C.
What is the InChIKey of 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is NBJCTHVXAVNNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-23-14-18-17(11-15(23)2)20(25-5)16(12-19(18)24-4)13-22-9-7-21(3)8-10-22/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 347.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112721737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).