1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol

C16H19ClN2O — CID 106542785

IUPAC1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCC3CCl)c2c1
InChIInChI=1S/C16H19ClN2O/c17-9-12-2-1-3-13(12)10-19-16-15-8-14(20)5-4-11(15)6-7-18-16/h4-8,12-13,20H,1-3,9-10H2,(H,18,19)
InChIKeyUQPUVTTTXINMJR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.01
Rot. Bonds4

About 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol

1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol (PubChem CID 106542785) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
PubChem CID106542785
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCC3CCl)c2c1
InChIInChI=1S/C16H19ClN2O/c17-9-12-2-1-3-13(12)10-19-16-15-8-14(20)5-4-11(15)6-7-18-16/h4-8,12-13,20H,1-3,9-10H2,(H,18,19)
InChIKeyUQPUVTTTXINMJR-UHFFFAOYSA-N
XLogP4.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
1-(oxan-3-ylmethylamino)isoquinolin-7-ol
CID 106537797
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
CID 106362148
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
N-[(2-aminocyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543389
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol (CID 106542785) is 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCC3CCCC3CCl)c2c1.
What is the InChIKey of 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol?
The InChIKey is UQPUVTTTXINMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-9-12-2-1-3-13(12)10-19-16-15-8-14(20)5-4-11(15)6-7-18-16/h4-8,12-13,20H,1-3,9-10H2,(H,18,19).
What are the key properties of 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol?
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol has a molecular weight of 290.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106542785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).