1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride

C15H18ClN3O — CID 3063577

IUPAC1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-12(19)17-8-10-18(11-9-17)15-7-6-13-4-2-3-5-14(13)16-15;/h2-7H,8-11H2,1H3;1H
InChIKeyHCDZJYXDVYVNJV-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.33
Rot. Bonds1

About 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride

1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 3063577) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID3063577
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-12(19)17-8-10-18(11-9-17)15-7-6-13-4-2-3-5-14(13)16-15;/h2-7H,8-11H2,1H3;1H
InChIKeyHCDZJYXDVYVNJV-UHFFFAOYSA-N
XLogP2.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride (CID 3063577) is 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride is CC(=O)N1CCN(c2ccc3ccccc3n2)CC1.Cl.
What is the InChIKey of 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is HCDZJYXDVYVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-12(19)17-8-10-18(11-9-17)15-7-6-13-4-2-3-5-14(13)16-15;/h2-7H,8-11H2,1H3;1H.
What are the key properties of 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-2-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 3063577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).