2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H22N4O — CID 110854935

IUPAC2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc2ccccc2nc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22N4O/c1-16-14-17-6-2-3-7-18(17)23-19(16)15-21(26)25-12-10-24(11-13-25)20-8-4-5-9-22-20/h2-9,14H,10-13,15H2,1H3
InChIKeyCWSGVKZMTPXZDM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110854935) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID110854935
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc2ccccc2nc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22N4O/c1-16-14-17-6-2-3-7-18(17)23-19(16)15-21(26)25-12-10-24(11-13-25)20-8-4-5-9-22-20/h2-9,14H,10-13,15H2,1H3
InChIKeyCWSGVKZMTPXZDM-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110848885
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136663273
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 110854935) is 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1cc2ccccc2nc1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CWSGVKZMTPXZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-14-17-6-2-3-7-18(17)23-19(16)15-21(26)25-12-10-24(11-13-25)20-8-4-5-9-22-20/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110854935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).