2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine

C15H17ClN2O2 — CID 106542980

IUPAC2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
SMILESCOc1ccc2ccnc(N3CCOC(CCl)C3)c2c1
InChIInChI=1S/C15H17ClN2O2/c1-19-12-3-2-11-4-5-17-15(14(11)8-12)18-6-7-20-13(9-16)10-18/h2-5,8,13H,6-7,9-10H2,1H3
InChIKeyRTHQWMPPXXFKHC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.69
Rot. Bonds3

About 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine

2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine (PubChem CID 106542980) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
PubChem CID106542980
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
SMILESCOc1ccc2ccnc(N3CCOC(CCl)C3)c2c1
InChIInChI=1S/C15H17ClN2O2/c1-19-12-3-2-11-4-5-17-15(14(11)8-12)18-6-7-20-13(9-16)10-18/h2-5,8,13H,6-7,9-10H2,1H3
InChIKeyRTHQWMPPXXFKHC-UHFFFAOYSA-N
XLogP2.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine 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

1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
CID 106539026
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 106541556
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
CID 81210088
3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
CID 104734139
1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine (CID 106542980) is 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine is COc1ccc2ccnc(N3CCOC(CCl)C3)c2c1.
What is the InChIKey of 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine?
The InChIKey is RTHQWMPPXXFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-19-12-3-2-11-4-5-17-15(14(11)8-12)18-6-7-20-13(9-16)10-18/h2-5,8,13H,6-7,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine?
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine has a molecular weight of 292.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine is sourced from PubChem (CID 106542980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).