2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine

C20H25N3O2 — CID 90459835

IUPAC2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine
SMILESCOc1ccc2c3ccnc(C)c3n(CC(C)C3CNCCO3)c2c1
InChIInChI=1S/C20H25N3O2/c1-13(19-11-21-8-9-25-19)12-23-18-10-15(24-3)4-5-16(18)17-6-7-22-14(2)20(17)23/h4-7,10,13,19,21H,8-9,11-12H2,1-3H3
InChIKeyNJSPFDDFWLVONF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine

2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine (PubChem CID 90459835) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine
PubChem CID90459835
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine
SMILESCOc1ccc2c3ccnc(C)c3n(CC(C)C3CNCCO3)c2c1
InChIInChI=1S/C20H25N3O2/c1-13(19-11-21-8-9-25-19)12-23-18-10-15(24-3)4-5-16(18)17-6-7-22-14(2)20(17)23/h4-7,10,13,19,21H,8-9,11-12H2,1-3H3
InChIKeyNJSPFDDFWLVONF-UHFFFAOYSA-N
XLogP3.13
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine?
The IUPAC name of 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine (CID 90459835) is 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine.
What is the SMILES notation for 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine?
The canonical SMILES for 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine is COc1ccc2c3ccnc(C)c3n(CC(C)C3CNCCO3)c2c1.
What is the InChIKey of 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine?
The InChIKey is NJSPFDDFWLVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(19-11-21-8-9-25-19)12-23-18-10-15(24-3)4-5-16(18)17-6-7-22-14(2)20(17)23/h4-7,10,13,19,21H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine?
2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine has a molecular weight of 339.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine is sourced from PubChem (CID 90459835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).