4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine

C23H22ClN3OS — CID 70113144

IUPAC4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine
SMILESClC(Cc1ccc2c(-c3cncc(-c4ccsc4)c3)c[nH]c2c1)N1CCOCC1
InChIInChI=1S/C23H22ClN3OS/c24-23(27-4-6-28-7-5-27)10-16-1-2-20-21(14-26-22(20)9-16)19-11-18(12-25-13-19)17-3-8-29-15-17/h1-3,8-9,11-15,23,26H,4-7,10H2
InChIKeyFXJVQKSVBOYBPU-UHFFFAOYSA-N
MW423.97 g/mol
LogP5.40
Rot. Bonds5

About 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine

4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine (PubChem CID 70113144) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine
PubChem CID70113144
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC Name4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine
SMILESClC(Cc1ccc2c(-c3cncc(-c4ccsc4)c3)c[nH]c2c1)N1CCOCC1
InChIInChI=1S/C23H22ClN3OS/c24-23(27-4-6-28-7-5-27)10-16-1-2-20-21(14-26-22(20)9-16)19-11-18(12-25-13-19)17-3-8-29-15-17/h1-3,8-9,11-15,23,26H,4-7,10H2
InChIKeyFXJVQKSVBOYBPU-UHFFFAOYSA-N
XLogP5.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine?
The IUPAC name of 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine (CID 70113144) is 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine is ClC(Cc1ccc2c(-c3cncc(-c4ccsc4)c3)c[nH]c2c1)N1CCOCC1.
What is the InChIKey of 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine?
The InChIKey is FXJVQKSVBOYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c24-23(27-4-6-28-7-5-27)10-16-1-2-20-21(14-26-22(20)9-16)19-11-18(12-25-13-19)17-3-8-29-15-17/h1-3,8-9,11-15,23,26H,4-7,10H2.
What are the key properties of 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine?
4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine has a molecular weight of 423.97 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine is sourced from PubChem (CID 70113144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).