6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine

C21H23N3O — CID 68875331

IUPAC6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-15-11-19-17(7-9-23-21(19)22)12-20(15)25-18-8-10-24(14-18)13-16-5-3-2-4-6-16/h2-7,9,11-12,18H,8,10,13-14H2,1H3,(H2,22,23)
InChIKeyVTWNCHQJXPKONY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.78
Rot. Bonds4

About 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine

6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine (PubChem CID 68875331) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine.

Molecular Properties

Compound Name6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
PubChem CID68875331
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-15-11-19-17(7-9-23-21(19)22)12-20(15)25-18-8-10-24(14-18)13-16-5-3-2-4-6-16/h2-7,9,11-12,18H,8,10,13-14H2,1H3,(H2,22,23)
InChIKeyVTWNCHQJXPKONY-UHFFFAOYSA-N
XLogP3.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine
CID 68876174
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
CID 10023612
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine?
The IUPAC name of 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine (CID 68875331) is 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine.
What is the SMILES notation for 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine?
The canonical SMILES for 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine is Cc1cc2c(N)nccc2cc1OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine?
The InChIKey is VTWNCHQJXPKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-11-19-17(7-9-23-21(19)22)12-20(15)25-18-8-10-24(14-18)13-16-5-3-2-4-6-16/h2-7,9,11-12,18H,8,10,13-14H2,1H3,(H2,22,23).
What are the key properties of 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine?
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine has a molecular weight of 333.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine is sourced from PubChem (CID 68875331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).