1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol

C16H21N3O — CID 106537369

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
SMILESCCN1CCCC1CNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c1-2-19-9-3-4-13(19)11-18-16-15-10-14(20)6-5-12(15)7-8-17-16/h5-8,10,13,20H,2-4,9,11H2,1H3,(H,17,18)
InChIKeyQVAFWORZHUOSLC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.84
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol

1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol (PubChem CID 106537369) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
PubChem CID106537369
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
SMILESCCN1CCCC1CNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c1-2-19-9-3-4-13(19)11-18-16-15-10-14(20)6-5-12(15)7-8-17-16/h5-8,10,13,20H,2-4,9,11H2,1H3,(H,17,18)
InChIKeyQVAFWORZHUOSLC-UHFFFAOYSA-N
XLogP2.84
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483
6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 79776024
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79955875
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol (CID 106537369) is 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol is CCN1CCCC1CNc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol?
The InChIKey is QVAFWORZHUOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-9-3-4-13(19)11-18-16-15-10-14(20)6-5-12(15)7-8-17-16/h5-8,10,13,20H,2-4,9,11H2,1H3,(H,17,18).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol?
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol has a molecular weight of 271.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).