4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane

C14H20N2O — CID 63939569

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
SMILESc1ccc2c(c1)CNCC2N1CCCOCC1
InChIInChI=1S/C14H20N2O/c1-2-5-13-12(4-1)10-15-11-14(13)16-6-3-8-17-9-7-16/h1-2,4-5,14-15H,3,6-11H2
InChIKeyIMRFTQIIWAAYGA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.55
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane

4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane (PubChem CID 63939569) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
PubChem CID63939569
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
SMILESc1ccc2c(c1)CNCC2N1CCCOCC1
InChIInChI=1S/C14H20N2O/c1-2-5-13-12(4-1)10-15-11-14(13)16-6-3-8-17-9-7-16/h1-2,4-5,14-15H,3,6-11H2
InChIKeyIMRFTQIIWAAYGA-UHFFFAOYSA-N
XLogP1.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane 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

3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
(4-Fluoro-benzyl)-(2-morpholin-4-yl-ethyl)-amine
CID 3152376
1-(4-Methylphenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16226737
Benzyl(1-(morpholin-4-yl)propan-2-yl)amine
CID 43675806
[2-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 4962390
1-(Morpholin-4-yl)-3-phenylpropan-2-amine
CID 9857263

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane (CID 63939569) is 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane is c1ccc2c(c1)CNCC2N1CCCOCC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane?
The InChIKey is IMRFTQIIWAAYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-5-13-12(4-1)10-15-11-14(13)16-6-3-8-17-9-7-16/h1-2,4-5,14-15H,3,6-11H2.
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane?
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane has a molecular weight of 232.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 63939569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).