methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C19H30N2O4 — CID 112721685

IUPACmethyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCCN(CC)Cc1cc(OC)c2c(c1OC)CC(C)N(C(=O)OC)C2
InChIInChI=1S/C19H30N2O4/c1-7-20(8-2)11-14-10-17(23-4)16-12-21(19(22)25-6)13(3)9-15(16)18(14)24-5/h10,13H,7-9,11-12H2,1-6H3
InChIKeyRCUDUYTWRVIJDT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.06
Rot. Bonds6

About methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 112721685) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID112721685
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCCN(CC)Cc1cc(OC)c2c(c1OC)CC(C)N(C(=O)OC)C2
InChIInChI=1S/C19H30N2O4/c1-7-20(8-2)11-14-10-17(23-4)16-12-21(19(22)25-6)13(3)9-15(16)18(14)24-5/h10,13H,7-9,11-12H2,1-6H3
InChIKeyRCUDUYTWRVIJDT-UHFFFAOYSA-N
XLogP3.06
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate with MolForge

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Related Compounds

ethyl 6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721669
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956970
3-ethyl-5,8-dimethoxy-2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956857
methyl 5,8-dimethoxy-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956467
ethyl 6-(ethylaminomethyl)-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957239
ethyl 6-(aminomethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956458
methyl 6-[(3-hydroxypropylamino)methyl]-5,8-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721690
methyl 1-ethyl-6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721693
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27332529
methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956784
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
CID 55897928

Frequently Asked Questions

What is the IUPAC name of methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 112721685) is methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is CCN(CC)Cc1cc(OC)c2c(c1OC)CC(C)N(C(=O)OC)C2.
What is the InChIKey of methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is RCUDUYTWRVIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-20(8-2)11-14-10-17(23-4)16-12-21(19(22)25-6)13(3)9-15(16)18(14)24-5/h10,13H,7-9,11-12H2,1-6H3.
What are the key properties of methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 112721685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).