1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone

C22H21N3O3 — CID 118273608

IUPAC1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)16-2-5-18(6-3-16)28-19-7-9-20-17(14-19)4-8-21(24-20)22(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3
InChIKeyBVCBGQASRGPDLU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone

1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone (PubChem CID 118273608) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone
PubChem CID118273608
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)16-2-5-18(6-3-16)28-19-7-9-20-17(14-19)4-8-21(24-20)22(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3
InChIKeyBVCBGQASRGPDLU-UHFFFAOYSA-N
XLogP3.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone (CID 118273608) is 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone is CC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1.
What is the InChIKey of 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone?
The InChIKey is BVCBGQASRGPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)16-2-5-18(6-3-16)28-19-7-9-20-17(14-19)4-8-21(24-20)22(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3.
What are the key properties of 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone?
1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone has a molecular weight of 375.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxyphenyl]ethanone is sourced from PubChem (CID 118273608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).