methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate

C17H24N2O4 — CID 82583032

IUPACmethyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1c2c(cc(OC)c1OC)CNCC2
InChIInChI=1S/C17H24N2O4/c1-21-14-9-11-10-18-7-6-12(11)15(16(14)22-2)19-8-4-5-13(19)17(20)23-3/h9,13,18H,4-8,10H2,1-3H3
InChIKeyRDYCKRMLYFAJSG-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.49
Rot. Bonds4

About methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate

methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate (PubChem CID 82583032) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate
PubChem CID82583032
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1c2c(cc(OC)c1OC)CNCC2
InChIInChI=1S/C17H24N2O4/c1-21-14-9-11-10-18-7-6-12(11)15(16(14)22-2)19-8-4-5-13(19)17(20)23-3/h9,13,18H,4-8,10H2,1-3H3
InChIKeyRDYCKRMLYFAJSG-UHFFFAOYSA-N
XLogP1.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
CID 82583030
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
3-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]benzoic acid
CID 96706561
methyl 1-(4-cyano-2,6-difluorophenyl)piperidine-2-carboxylate
CID 115534551
(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 142498252
methyl 1-(2-aminophenyl)pyrrolidine-2-carboxylate
CID 53402483
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 609958
5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83901594
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl 1-(3-cyanophenyl)pyrrolidine-2-carboxylate
CID 72637225

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate (CID 82583032) is methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1c2c(cc(OC)c1OC)CNCC2.
What is the InChIKey of methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate?
The InChIKey is RDYCKRMLYFAJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-14-9-11-10-18-7-6-12(11)15(16(14)22-2)19-8-4-5-13(19)17(20)23-3/h9,13,18H,4-8,10H2,1-3H3.
What are the key properties of methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate?
methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 82583032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).