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

C23H22ClN3OS — CID 70113518

IUPAC4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine
SMILESClc1cccc2[nH]c(CCN3CCOCC3)c(-c3cncc(-c4ccsc4)c3)c12
InChIInChI=1S/C23H22ClN3OS/c24-19-2-1-3-20-23(19)22(21(26-20)4-6-27-7-9-28-10-8-27)18-12-17(13-25-14-18)16-5-11-29-15-16/h1-3,5,11-15,26H,4,6-10H2
InChIKeyLYIQLMHZGJNYBJ-UHFFFAOYSA-N
MW423.97 g/mol
LogP5.49
Rot. Bonds5

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

4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine (PubChem CID 70113518) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine
PubChem CID70113518
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC Name4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine
SMILESClc1cccc2[nH]c(CCN3CCOCC3)c(-c3cncc(-c4ccsc4)c3)c12
InChIInChI=1S/C23H22ClN3OS/c24-19-2-1-3-20-23(19)22(21(26-20)4-6-27-7-9-28-10-8-27)18-12-17(13-25-14-18)16-5-11-29-15-16/h1-3,5,11-15,26H,4,6-10H2
InChIKeyLYIQLMHZGJNYBJ-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine
CID 70112590
4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine
CID 70114078
4-[1-chloro-2-[3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-6-yl]ethyl]morpholine
CID 70113144
4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine
CID 929264
4-[3-(5-thiophen-3-ylfuran-2-yl)propyl]morpholine
CID 170871269
N'-[1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]-N-methyl-N-(methylideneamino)propanimidamide
CID 123258041
4-[2-(2,5,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaen-7-yl)ethyl]morpholine
CID 101110456
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
CID 22368455
4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
CID 170870855
2-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808519
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine (CID 70113518) is 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine is Clc1cccc2[nH]c(CCN3CCOCC3)c(-c3cncc(-c4ccsc4)c3)c12.
What is the InChIKey of 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine?
The InChIKey is LYIQLMHZGJNYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c24-19-2-1-3-20-23(19)22(21(26-20)4-6-27-7-9-28-10-8-27)18-12-17(13-25-14-18)16-5-11-29-15-16/h1-3,5,11-15,26H,4,6-10H2.
What are the key properties of 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine?
4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine has a molecular weight of 423.97 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine is sourced from PubChem (CID 70113518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).