1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C23H29N3O2 — CID 56690048

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-17-15-24(16-18-25)14-12-23(27)26-13-6-8-19-7-2-3-9-20(19)26/h2-5,7,9-11H,6,8,12-18H2,1H3
InChIKeyAAAJMCMXAZQJNF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.19
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 56690048) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID56690048
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-17-15-24(16-18-25)14-12-23(27)26-13-6-8-19-7-2-3-9-20(19)26/h2-5,7,9-11H,6,8,12-18H2,1H3
InChIKeyAAAJMCMXAZQJNF-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 56690048) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(CCC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is AAAJMCMXAZQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-17-15-24(16-18-25)14-12-23(27)26-13-6-8-19-7-2-3-9-20(19)26/h2-5,7,9-11H,6,8,12-18H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56690048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).