4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine

C18H18ClN3O — CID 166987557

IUPAC4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine
SMILESClc1ccc(-n2ccc3c(CN4CCOCC4)cccc32)cn1
InChIInChI=1S/C18H18ClN3O/c19-18-5-4-15(12-20-18)22-7-6-16-14(2-1-3-17(16)22)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2
InChIKeyJTTJARNVERZMCG-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.51
Rot. Bonds3

About 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine

4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine (PubChem CID 166987557) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine
PubChem CID166987557
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine
SMILESClc1ccc(-n2ccc3c(CN4CCOCC4)cccc32)cn1
InChIInChI=1S/C18H18ClN3O/c19-18-5-4-15(12-20-18)22-7-6-16-14(2-1-3-17(16)22)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2
InChIKeyJTTJARNVERZMCG-UHFFFAOYSA-N
XLogP3.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine (CID 166987557) is 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine is Clc1ccc(-n2ccc3c(CN4CCOCC4)cccc32)cn1.
What is the InChIKey of 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine?
The InChIKey is JTTJARNVERZMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-18-5-4-15(12-20-18)22-7-6-16-14(2-1-3-17(16)22)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2.
What are the key properties of 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine?
4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine has a molecular weight of 327.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-chloro-3-pyridinyl)indol-4-yl]methyl]morpholine is sourced from PubChem (CID 166987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).