1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol

C15H17ClN2O — CID 106542779

IUPAC1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCC3Cl)c2c1
InChIInChI=1S/C15H17ClN2O/c16-14-3-1-2-11(14)9-18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9H2,(H,17,18)
InChIKeySZXVBDZEHMLYRN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.76
Rot. Bonds3

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

1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol (PubChem CID 106542779) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
PubChem CID106542779
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCC3Cl)c2c1
InChIInChI=1S/C15H17ClN2O/c16-14-3-1-2-11(14)9-18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9H2,(H,17,18)
InChIKeySZXVBDZEHMLYRN-UHFFFAOYSA-N
XLogP3.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.76
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-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
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
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
N-[(2-aminocyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543389
1-[[1-(chloromethyl)-4-methylcyclohexyl]amino]isoquinolin-7-ol
CID 106542756

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol (CID 106542779) is 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCC3CCCC3Cl)c2c1.
What is the InChIKey of 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol?
The InChIKey is SZXVBDZEHMLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-3-1-2-11(14)9-18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9H2,(H,17,18).
What are the key properties of 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol?
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol has a molecular weight of 276.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106542779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).