[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol

C17H22N2O — CID 106768094

IUPAC[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
SMILESCCCCN(c1ncc(CO)c2ccccc12)C1CC1
InChIInChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-16-7-5-4-6-15(16)13(12-20)11-18-17/h4-7,11,14,20H,2-3,8-10,12H2,1H3
InChIKeyABTCDDUSGRGXCQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds6

About [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol

[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol (PubChem CID 106768094) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
PubChem CID106768094
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
SMILESCCCCN(c1ncc(CO)c2ccccc12)C1CC1
InChIInChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-16-7-5-4-6-15(16)13(12-20)11-18-17/h4-7,11,14,20H,2-3,8-10,12H2,1H3
InChIKeyABTCDDUSGRGXCQ-UHFFFAOYSA-N
XLogP3.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[butyl(cyclopropyl)amino]isoquinolin-4-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

Related Compounds

[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
4-(chloromethyl)-N-cyclopentyl-N-ethylisoquinolin-1-amine
CID 106768996
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
5-bromo-N-butyl-3-(chloromethyl)-N-cyclopropylpyridin-2-amine
CID 55199953
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208

Frequently Asked Questions

What is the IUPAC name of [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol (CID 106768094) is [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol is CCCCN(c1ncc(CO)c2ccccc12)C1CC1.
What is the InChIKey of [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol?
The InChIKey is ABTCDDUSGRGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-16-7-5-4-6-15(16)13(12-20)11-18-17/h4-7,11,14,20H,2-3,8-10,12H2,1H3.
What are the key properties of [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol?
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).