1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone

C22H21N3O2 — CID 2559336

IUPAC1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)17-6-9-19(10-7-17)24-12-14-25(15-13-24)22(27)21-11-8-18-4-2-3-5-20(18)23-21/h2-11H,12-15H2,1H3
InChIKeyIAEQGSBSAQPSCL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.40
Rot. Bonds3

About 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 2559336) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID2559336
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)17-6-9-19(10-7-17)24-12-14-25(15-13-24)22(27)21-11-8-18-4-2-3-5-20(18)23-21/h2-11H,12-15H2,1H3
InChIKeyIAEQGSBSAQPSCL-UHFFFAOYSA-N
XLogP3.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 2559336) is 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is IAEQGSBSAQPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)17-6-9-19(10-7-17)24-12-14-25(15-13-24)22(27)21-11-8-18-4-2-3-5-20(18)23-21/h2-11H,12-15H2,1H3.
What are the key properties of 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2559336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).