4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine

C22H20ClN3O — CID 87554292

IUPAC4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
SMILESClc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyQFBFRNKWBPIFBO-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.87
Rot. Bonds3

About 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine

4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine (PubChem CID 87554292) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
PubChem CID87554292
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
SMILESClc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyQFBFRNKWBPIFBO-UHFFFAOYSA-N
XLogP4.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]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 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine (CID 87554292) is 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine is Clc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12.
What is the InChIKey of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The InChIKey is QFBFRNKWBPIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25).
What are the key properties of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine has a molecular weight of 377.88 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 87554292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).