[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol

C15H20N2O — CID 106767974

IUPAC[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
SMILESCCCN(CC)c1ncc(CO)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-13(14)12(11-18)10-16-15/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyPAKLKWGSWRTFAE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds5

About [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol

[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol (PubChem CID 106767974) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
PubChem CID106767974
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
SMILESCCCN(CC)c1ncc(CO)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-13(14)12(11-18)10-16-15/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyPAKLKWGSWRTFAE-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[ethyl(propyl)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

N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
CID 61255400
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106769248
[4-[ethyl(propyl)amino]-6-methyl-3-pyridinyl]methanol
CID 81237125

Frequently Asked Questions

What is the IUPAC name of [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol (CID 106767974) is [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol is CCCN(CC)c1ncc(CO)c2ccccc12.
What is the InChIKey of [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol?
The InChIKey is PAKLKWGSWRTFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-13(14)12(11-18)10-16-15/h5-8,10,18H,3-4,9,11H2,1-2H3.
What are the key properties of [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol?
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106767974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).