6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile

C21H20ClN3O3 — CID 118243500

IUPAC6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(OCCO)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C21H20ClN3O3/c22-19-12-20-17(18(13-23)21(24-20)28-10-7-26)11-16(19)14-1-3-15(4-2-14)25-5-8-27-9-6-25/h1-4,11-12,24,26H,5-10H2
InChIKeyKVJOZGRAINXFFN-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.57
Rot. Bonds5

About 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile

6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile (PubChem CID 118243500) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
PubChem CID118243500
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(OCCO)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C21H20ClN3O3/c22-19-12-20-17(18(13-23)21(24-20)28-10-7-26)11-16(19)14-1-3-15(4-2-14)25-5-8-27-9-6-25/h1-4,11-12,24,26H,5-10H2
InChIKeyKVJOZGRAINXFFN-UHFFFAOYSA-N
XLogP3.57
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile?
The IUPAC name of 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile (CID 118243500) is 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile is N#Cc1c(OCCO)[nH]c2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile?
The InChIKey is KVJOZGRAINXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-19-12-20-17(18(13-23)21(24-20)28-10-7-26)11-16(19)14-1-3-15(4-2-14)25-5-8-27-9-6-25/h1-4,11-12,24,26H,5-10H2.
What are the key properties of 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile?
6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile has a molecular weight of 397.86 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-hydroxyethoxy)-5-(4-morpholin-4-ylphenyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 118243500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).