1-(oxan-3-ylmethylamino)isoquinolin-7-ol

C15H18N2O2 — CID 106537797

IUPAC1-(oxan-3-ylmethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCOC3)c2c1
InChIInChI=1S/C15H18N2O2/c18-13-4-3-12-5-6-16-15(14(12)8-13)17-9-11-2-1-7-19-10-11/h3-6,8,11,18H,1-2,7,9-10H2,(H,16,17)
InChIKeyJEYGNPFZBBPWCY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds3

About 1-(oxan-3-ylmethylamino)isoquinolin-7-ol

1-(oxan-3-ylmethylamino)isoquinolin-7-ol (PubChem CID 106537797) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(oxan-3-ylmethylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(oxan-3-ylmethylamino)isoquinolin-7-ol
PubChem CID106537797
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(oxan-3-ylmethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCC3CCCOC3)c2c1
InChIInChI=1S/C15H18N2O2/c18-13-4-3-12-5-6-16-15(14(12)8-13)17-9-11-2-1-7-19-10-11/h3-6,8,11,18H,1-2,7,9-10H2,(H,16,17)
InChIKeyJEYGNPFZBBPWCY-UHFFFAOYSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[(1-ethylpiperidin-4-yl)methylamino]isoquinolin-7-ol
CID 106538187
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
1-N-(oxan-3-ylmethyl)-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 163957200
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
3-[[(3R)-oxolan-3-yl]methylamino]quinolin-6-ol
CID 129410623
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
CID 115657139
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethylamino)isoquinolin-7-ol?
The IUPAC name of 1-(oxan-3-ylmethylamino)isoquinolin-7-ol (CID 106537797) is 1-(oxan-3-ylmethylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(oxan-3-ylmethylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(oxan-3-ylmethylamino)isoquinolin-7-ol is Oc1ccc2ccnc(NCC3CCCOC3)c2c1.
What is the InChIKey of 1-(oxan-3-ylmethylamino)isoquinolin-7-ol?
The InChIKey is JEYGNPFZBBPWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-13-4-3-12-5-6-16-15(14(12)8-13)17-9-11-2-1-7-19-10-11/h3-6,8,11,18H,1-2,7,9-10H2,(H,16,17).
What are the key properties of 1-(oxan-3-ylmethylamino)isoquinolin-7-ol?
1-(oxan-3-ylmethylamino)isoquinolin-7-ol has a molecular weight of 258.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethylamino)isoquinolin-7-ol is sourced from PubChem (CID 106537797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).