1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid

C16H18N2O3 — CID 106536199

IUPAC1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc2c(N3CCCC3(C)C(=O)O)nccc2c1
InChIInChI=1S/C16H18N2O3/c1-16(15(19)20)7-3-9-18(16)14-13-5-4-12(21-2)10-11(13)6-8-17-14/h4-6,8,10H,3,7,9H2,1-2H3,(H,19,20)
InChIKeyULOSNCFDDVZFJA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.69
Rot. Bonds3

About 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid

1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 106536199) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID106536199
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc2c(N3CCCC3(C)C(=O)O)nccc2c1
InChIInChI=1S/C16H18N2O3/c1-16(15(19)20)7-3-9-18(16)14-13-5-4-12(21-2)10-11(13)6-8-17-14/h4-6,8,10H,3,7,9H2,1-2H3,(H,19,20)
InChIKeyULOSNCFDDVZFJA-UHFFFAOYSA-N
XLogP2.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 113430727
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
3-[(6-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536236
1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595813
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 106536199) is 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid is COc1ccc2c(N3CCCC3(C)C(=O)O)nccc2c1.
What is the InChIKey of 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is ULOSNCFDDVZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(19)20)7-3-9-18(16)14-13-5-4-12(21-2)10-11(13)6-8-17-14/h4-6,8,10H,3,7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid?
1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106536199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).