1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one

C16H19N3O — CID 113079712

IUPAC1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C16H19N3O/c1-2-15(20)19-11-9-18(10-12-19)14-7-3-5-13-6-4-8-17-16(13)14/h3-8H,2,9-12H2,1H3
InChIKeyUGPFRPBRNDFJTR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one

1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one (PubChem CID 113079712) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
PubChem CID113079712
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C16H19N3O/c1-2-15(20)19-11-9-18(10-12-19)14-7-3-5-13-6-4-8-17-16(13)14/h3-8H,2,9-12H2,1H3
InChIKeyUGPFRPBRNDFJTR-UHFFFAOYSA-N
XLogP2.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498

Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one (CID 113079712) is 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The InChIKey is UGPFRPBRNDFJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-15(20)19-11-9-18(10-12-19)14-7-3-5-13-6-4-8-17-16(13)14/h3-8H,2,9-12H2,1H3.
What are the key properties of 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 113079712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).