1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone

C21H21ClN2O3 — CID 55947389

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H21ClN2O3/c1-26-18-6-7-19-16(12-18)8-9-23(19)14-21(25)24-10-11-27-20(13-24)15-2-4-17(22)5-3-15/h2-9,12,20H,10-11,13-14H2,1H3
InChIKeyPJYCWSXTLHWSQB-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.90
Rot. Bonds4

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone (PubChem CID 55947389) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
PubChem CID55947389
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H21ClN2O3/c1-26-18-6-7-19-16(12-18)8-9-23(19)14-21(25)24-10-11-27-20(13-24)15-2-4-17(22)5-3-15/h2-9,12,20H,10-11,13-14H2,1H3
InChIKeyPJYCWSXTLHWSQB-UHFFFAOYSA-N
XLogP3.90
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone with MolForge

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Related Compounds

2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 94487425
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone (CID 55947389) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone is COc1ccc2c(ccn2CC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone?
The InChIKey is PJYCWSXTLHWSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-26-18-6-7-19-16(12-18)8-9-23(19)14-21(25)24-10-11-27-20(13-24)15-2-4-17(22)5-3-15/h2-9,12,20H,10-11,13-14H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone has a molecular weight of 384.86 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone is sourced from PubChem (CID 55947389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).