1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one

C18H26N4O2 — CID 82549978

IUPAC1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(=O)N1CCCc2cc(C(=O)CCN3CCNCC3)c(N)cc21
InChIInChI=1S/C18H26N4O2/c1-13(23)22-7-2-3-14-11-15(16(19)12-17(14)22)18(24)4-8-21-9-5-20-6-10-21/h11-12,20H,2-10,19H2,1H3
InChIKeyUEPMZFBLJCJGGN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.05
Rot. Bonds4

About 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one

1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82549978) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82549978
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(=O)N1CCCc2cc(C(=O)CCN3CCNCC3)c(N)cc21
InChIInChI=1S/C18H26N4O2/c1-13(23)22-7-2-3-14-11-15(16(19)12-17(14)22)18(24)4-8-21-9-5-20-6-10-21/h11-12,20H,2-10,19H2,1H3
InChIKeyUEPMZFBLJCJGGN-UHFFFAOYSA-N
XLogP1.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
1-[6-bromo-7-(chloromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 43164780
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one (CID 82549978) is 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one is CC(=O)N1CCCc2cc(C(=O)CCN3CCNCC3)c(N)cc21.
What is the InChIKey of 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is UEPMZFBLJCJGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(23)22-7-2-3-14-11-15(16(19)12-17(14)22)18(24)4-8-21-9-5-20-6-10-21/h11-12,20H,2-10,19H2,1H3.
What are the key properties of 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one?
1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 330.43 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82549978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).