1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride

C24H31ClN4O2 — CID 132914391

IUPAC1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C24H30N4O2.ClH/c1-18-16-24(2,3)28(21-9-8-19(30-4)15-20(18)21)23(29)17-26-11-13-27(14-12-26)22-7-5-6-10-25-22;/h5-10,15-16H,11-14,17H2,1-4H3;1H
InChIKeyVOKJUFHFBVNKQT-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.86
Rot. Bonds4

About 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride

1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 132914391) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID132914391
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C24H30N4O2.ClH/c1-18-16-24(2,3)28(21-9-8-19(30-4)15-20(18)21)23(29)17-26-11-13-27(14-12-26)22-7-5-6-10-25-22;/h5-10,15-16H,11-14,17H2,1-4H3;1H
InChIKeyVOKJUFHFBVNKQT-UHFFFAOYSA-N
XLogP3.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride (CID 132914391) is 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride is COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(c2ccccn2)CC1.Cl.
What is the InChIKey of 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is VOKJUFHFBVNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.ClH/c1-18-16-24(2,3)28(21-9-8-19(30-4)15-20(18)21)23(29)17-26-11-13-27(14-12-26)22-7-5-6-10-25-22;/h5-10,15-16H,11-14,17H2,1-4H3;1H.
What are the key properties of 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 442.99 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 132914391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).