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

C17H23N3O — CID 106537916

IUPAC1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCN3CCCCCC3)c2c1
InChIInChI=1S/C17H23N3O/c21-15-6-5-14-7-8-18-17(16(14)13-15)19-9-12-20-10-3-1-2-4-11-20/h5-8,13,21H,1-4,9-12H2,(H,18,19)
InChIKeyKHCVZFPZIZWJMD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds4

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

1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol (PubChem CID 106537916) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
PubChem CID106537916
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCN3CCCCCC3)c2c1
InChIInChI=1S/C17H23N3O/c21-15-6-5-14-7-8-18-17(16(14)13-15)19-9-12-20-10-3-1-2-4-11-20/h5-8,13,21H,1-4,9-12H2,(H,18,19)
InChIKeyKHCVZFPZIZWJMD-UHFFFAOYSA-N
XLogP3.23
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
CID 106177647
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
CID 106537734
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]isoquinolin-7-ol
CID 106538776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol (CID 106537916) is 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCCN3CCCCCC3)c2c1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol?
The InChIKey is KHCVZFPZIZWJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-15-6-5-14-7-8-18-17(16(14)13-15)19-9-12-20-10-3-1-2-4-11-20/h5-8,13,21H,1-4,9-12H2,(H,18,19).
What are the key properties of 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol?
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol has a molecular weight of 285.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).