2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone

C14H15ClN2O2 — CID 110849334

IUPAC2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOCC1
InChIInChI=1S/C14H15ClN2O2/c15-11-1-2-12-10(9-16-13(12)8-11)7-14(18)17-3-5-19-6-4-17/h1-2,8-9,16H,3-7H2
InChIKeyKEWFPBBLITXXSR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.22
Rot. Bonds2

About 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone

2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone (PubChem CID 110849334) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
PubChem CID110849334
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOCC1
InChIInChI=1S/C14H15ClN2O2/c15-11-1-2-12-10(9-16-13(12)8-11)7-14(18)17-3-5-19-6-4-17/h1-2,8-9,16H,3-7H2
InChIKeyKEWFPBBLITXXSR-UHFFFAOYSA-N
XLogP2.22
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331689
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
2-(5-chloro-1H-indol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110413074
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 146106122
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 95232987

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone (CID 110849334) is 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone is O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCOCC1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is KEWFPBBLITXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-1-2-12-10(9-16-13(12)8-11)7-14(18)17-3-5-19-6-4-17/h1-2,8-9,16H,3-7H2.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone?
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 278.74 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 110849334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).