1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone

C21H29N5O3 — CID 126788015

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
SMILESCOCc1noc(C(C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-16(21-22-19(15-28-2)23-29-21)25-12-10-24(11-13-25)14-20(27)26-9-5-7-17-6-3-4-8-18(17)26/h3-4,6,8,16H,5,7,9-15H2,1-2H3
InChIKeyUQGMTSUSXYODNF-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.87
Rot. Bonds6

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 126788015) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID126788015
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
SMILESCOCc1noc(C(C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-16(21-22-19(15-28-2)23-29-21)25-12-10-24(11-13-25)14-20(27)26-9-5-7-17-6-3-4-8-18(17)26/h3-4,6,8,16H,5,7,9-15H2,1-2H3
InChIKeyUQGMTSUSXYODNF-UHFFFAOYSA-N
XLogP1.87
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 133321313
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 99787697
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone (CID 126788015) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone is COCc1noc(C(C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is UQGMTSUSXYODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-16(21-22-19(15-28-2)23-29-21)25-12-10-24(11-13-25)14-20(27)26-9-5-7-17-6-3-4-8-18(17)26/h3-4,6,8,16H,5,7,9-15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 399.50 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126788015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).