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

C23H29N3O — CID 109029285

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCN3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C23H29N3O/c1-19-6-4-9-21(18-19)24-14-16-26(17-15-24)23(27)11-13-25-12-5-8-20-7-2-3-10-22(20)25/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3
InChIKeyQGAOYVONYQNVRQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.49
Rot. Bonds4

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109029285) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID109029285
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCN3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C23H29N3O/c1-19-6-4-9-21(18-19)24-14-16-26(17-15-24)23(27)11-13-25-12-5-8-20-7-2-3-10-22(20)25/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3
InChIKeyQGAOYVONYQNVRQ-UHFFFAOYSA-N
XLogP3.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 109029285) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)CCN3CCCc4ccccc43)CC2)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QGAOYVONYQNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-19-6-4-9-21(18-19)24-14-16-26(17-15-24)23(27)11-13-25-12-5-8-20-7-2-3-10-22(20)25/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 363.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109029285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).