1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol

C16H18N2O — CID 106177647

IUPAC1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCC3=CCCC3)c2c1
InChIInChI=1S/C16H18N2O/c19-14-6-5-13-8-10-18-16(15(13)11-14)17-9-7-12-3-1-2-4-12/h3,5-6,8,10-11,19H,1-2,4,7,9H2,(H,17,18)
InChIKeyFPZPLYGWBGDKGX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol

1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol (PubChem CID 106177647) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
PubChem CID106177647
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCC3=CCCC3)c2c1
InChIInChI=1S/C16H18N2O/c19-14-6-5-13-8-10-18-16(15(13)11-14)17-9-7-12-3-1-2-4-12/h3,5-6,8,10-11,19H,1-2,4,7,9H2,(H,17,18)
InChIKeyFPZPLYGWBGDKGX-UHFFFAOYSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
1-(5-methylhexylamino)isoquinolin-7-ol
CID 106539204
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
CID 106537734
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
CID 107488396
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol (CID 106177647) is 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCCC3=CCCC3)c2c1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol?
The InChIKey is FPZPLYGWBGDKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-14-6-5-13-8-10-18-16(15(13)11-14)17-9-7-12-3-1-2-4-12/h3,5-6,8,10-11,19H,1-2,4,7,9H2,(H,17,18).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol?
1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol has a molecular weight of 254.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106177647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).