1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol

C14H19N3O — CID 106543534

IUPAC1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
SMILESCN(c1nccc2ccc(O)cc12)C(C)(C)CN
InChIInChI=1S/C14H19N3O/c1-14(2,9-15)17(3)13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,9,15H2,1-3H3
InChIKeyKLFYZAKWDCCILP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds3

About 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol

1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol (PubChem CID 106543534) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
PubChem CID106543534
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
SMILESCN(c1nccc2ccc(O)cc12)C(C)(C)CN
InChIInChI=1S/C14H19N3O/c1-14(2,9-15)17(3)13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,9,15H2,1-3H3
InChIKeyKLFYZAKWDCCILP-UHFFFAOYSA-N
XLogP2.11
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol (CID 106543534) is 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol is CN(c1nccc2ccc(O)cc12)C(C)(C)CN.
What is the InChIKey of 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol?
The InChIKey is KLFYZAKWDCCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,9-15)17(3)13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,9,15H2,1-3H3.
What are the key properties of 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol?
1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol has a molecular weight of 245.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106543534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).