1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone

C21H20N4O3 — CID 118273306

IUPAC1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)nc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-3-7-20(23-13-16)28-17-4-6-18-15(12-17)2-5-19(24-18)21(27)25-10-8-22-9-11-25/h2-7,12-13,22H,8-11H2,1H3
InChIKeyVMCFXQPRPSFGDA-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.67
Rot. Bonds4

About 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone

1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone (PubChem CID 118273306) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone
PubChem CID118273306
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)nc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-3-7-20(23-13-16)28-17-4-6-18-15(12-17)2-5-19(24-18)21(27)25-10-8-22-9-11-25/h2-7,12-13,22H,8-11H2,1H3
InChIKeyVMCFXQPRPSFGDA-UHFFFAOYSA-N
XLogP2.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone (CID 118273306) is 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)nc1.
What is the InChIKey of 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone?
The InChIKey is VMCFXQPRPSFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)16-3-7-20(23-13-16)28-17-4-6-18-15(12-17)2-5-19(24-18)21(27)25-10-8-22-9-11-25/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone?
1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone has a molecular weight of 376.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxy-3-pyridinyl]ethanone is sourced from PubChem (CID 118273306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).