1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol

C16H19N3O — CID 106540413

IUPAC1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NC3CC4CCC(C3)N4)c2c1
InChIInChI=1S/C16H19N3O/c20-14-4-1-10-5-6-17-16(15(10)9-14)19-13-7-11-2-3-12(8-13)18-11/h1,4-6,9,11-13,18,20H,2-3,7-8H2,(H,17,19)
InChIKeyJRMDXBBBVPLKID-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds2

About 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol

1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol (PubChem CID 106540413) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
PubChem CID106540413
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NC3CC4CCC(C3)N4)c2c1
InChIInChI=1S/C16H19N3O/c20-14-4-1-10-5-6-17-16(15(10)9-14)19-13-7-11-2-3-12(8-13)18-11/h1,4-6,9,11-13,18,20H,2-3,7-8H2,(H,17,19)
InChIKeyJRMDXBBBVPLKID-UHFFFAOYSA-N
XLogP2.64
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(8-azabicyclo[3.2.1]octan-3-ylamino)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-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
1-(thian-3-ylamino)isoquinolin-7-ol
CID 106539790
1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
CID 106362148
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252990
4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
CID 105473051
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
7-methyl-N-piperidin-4-ylisoquinolin-1-amine
CID 82570879
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol (CID 106540413) is 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol is Oc1ccc2ccnc(NC3CC4CCC(C3)N4)c2c1.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol?
The InChIKey is JRMDXBBBVPLKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-14-4-1-10-5-6-17-16(15(10)9-14)19-13-7-11-2-3-12(8-13)18-11/h1,4-6,9,11-13,18,20H,2-3,7-8H2,(H,17,19).
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol?
1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol has a molecular weight of 269.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol is sourced from PubChem (CID 106540413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).