2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C22H21ClN2O — CID 113086810

IUPAC2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C1=CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O/c1-15-22(19-4-2-3-5-20(19)24-15)17-10-12-25(13-11-17)21(26)14-16-6-8-18(23)9-7-16/h2-10,24H,11-14H2,1H3
InChIKeyKNMSONXEZHOSGY-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 113086810) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID113086810
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C1=CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O/c1-15-22(19-4-2-3-5-20(19)24-15)17-10-12-25(13-11-17)21(26)14-16-6-8-18(23)9-7-16/h2-10,24H,11-14H2,1H3
InChIKeyKNMSONXEZHOSGY-UHFFFAOYSA-N
XLogP4.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
3-[1-(4-ethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086831
2-(4-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 110477025
4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025007
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086828
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
CID 113086734
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 113086810) is 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is KNMSONXEZHOSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-15-22(19-4-2-3-5-20(19)24-15)17-10-12-25(13-11-17)21(26)14-16-6-8-18(23)9-7-16/h2-10,24H,11-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 364.88 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 113086810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).