1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C22H20N4O2 — CID 53032181

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCCc5ccccc54)c3c2)o1
InChIInChI=1S/C22H20N4O2/c1-15-23-24-22(28-15)18-9-8-17-10-12-25(20(17)13-18)14-21(27)26-11-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-10,12-13H,4,6,11,14H2,1H3
InChIKeyCRHXAVZHNCOTIC-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.98
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 53032181) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID53032181
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCCc5ccccc54)c3c2)o1
InChIInChI=1S/C22H20N4O2/c1-15-23-24-22(28-15)18-9-8-17-10-12-25(20(17)13-18)14-21(27)26-11-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-10,12-13H,4,6,11,14H2,1H3
InChIKeyCRHXAVZHNCOTIC-UHFFFAOYSA-N
XLogP3.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 59762338
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-pyridin-4-yl-1H-indole-6-carboxylic acid
CID 6480929
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(2-pyridyl)indole-6-carboxylic acid
CID 46232609
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
CID 46846404
1-Methyl-3-(5-phenyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 860743
[5-(1-Methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 164619662
1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162722487
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpropanamide
CID 16191373
(E)-N-(2-aminophenyl)-3-[4-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707840
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
CID 71603239
N-(3-chloro-4-fluorophenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]acetamide
CID 53032213

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 53032181) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCCc5ccccc54)c3c2)o1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is CRHXAVZHNCOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-23-24-22(28-15)18-9-8-17-10-12-25(20(17)13-18)14-21(27)26-11-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-10,12-13H,4,6,11,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 53032181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).