1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol

C16H20N2O2 — CID 106362148

IUPAC1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
SMILESOCC1CCCCC1Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H20N2O2/c19-10-12-3-1-2-4-15(12)18-16-14-9-13(20)6-5-11(14)7-8-17-16/h5-9,12,15,19-20H,1-4,10H2,(H,17,18)
InChIKeySHDQIDFNYDMLCN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.90
Rot. Bonds3

About 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol

1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol (PubChem CID 106362148) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
PubChem CID106362148
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
SMILESOCC1CCCCC1Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H20N2O2/c19-10-12-3-1-2-4-15(12)18-16-14-9-13(20)6-5-11(14)7-8-17-16/h5-9,12,15,19-20H,1-4,10H2,(H,17,18)
InChIKeySHDQIDFNYDMLCN-UHFFFAOYSA-N
XLogP2.90
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
1-(thian-3-ylamino)isoquinolin-7-ol
CID 106539790
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
CID 106540413
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
[2-(phthalazin-1-ylamino)cyclohexyl]methanol
CID 106362271
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol?
The IUPAC name of 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol (CID 106362148) is 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol?
The canonical SMILES for 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol is OCC1CCCCC1Nc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol?
The InChIKey is SHDQIDFNYDMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-10-12-3-1-2-4-15(12)18-16-14-9-13(20)6-5-11(14)7-8-17-16/h5-9,12,15,19-20H,1-4,10H2,(H,17,18).
What are the key properties of 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol?
1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol has a molecular weight of 272.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol is sourced from PubChem (CID 106362148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).