[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol

C16H23N3O — CID 63699924

IUPAC[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
SMILESCN(C)CCCN(C)c1nc(CO)cc2ccccc12
InChIInChI=1S/C16H23N3O/c1-18(2)9-6-10-19(3)16-15-8-5-4-7-13(15)11-14(12-20)17-16/h4-5,7-8,11,20H,6,9-10,12H2,1-3H3
InChIKeyPEJJAIWWZMPDBO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.12
Rot. Bonds6

About [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol

[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol (PubChem CID 63699924) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
PubChem CID63699924
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
SMILESCN(C)CCCN(C)c1nc(CO)cc2ccccc12
InChIInChI=1S/C16H23N3O/c1-18(2)9-6-10-19(3)16-15-8-5-4-7-13(15)11-14(12-20)17-16/h4-5,7-8,11,20H,6,9-10,12H2,1-3H3
InChIKeyPEJJAIWWZMPDBO-UHFFFAOYSA-N
XLogP2.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol (CID 63699924) is [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol is CN(C)CCCN(C)c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol?
The InChIKey is PEJJAIWWZMPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(2)9-6-10-19(3)16-15-8-5-4-7-13(15)11-14(12-20)17-16/h4-5,7-8,11,20H,6,9-10,12H2,1-3H3.
What are the key properties of [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol?
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 63699924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).