1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride

C19H22ClN5O2 — CID 120879613

IUPAC1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H21N5O2.ClH/c1-22-10-8-21-19(22)16-12-20-7-11-24(16)18(26)13-23-9-6-17(25)14-4-2-3-5-15(14)23;/h2-6,8-10,16,20H,7,11-13H2,1H3;1H
InChIKeyCTYYQXMLNWMXTK-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.33
Rot. Bonds3

About 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride

1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride (PubChem CID 120879613) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
PubChem CID120879613
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H21N5O2.ClH/c1-22-10-8-21-19(22)16-12-20-7-11-24(16)18(26)13-23-9-6-17(25)14-4-2-3-5-15(14)23;/h2-6,8-10,16,20H,7,11-13H2,1H3;1H
InChIKeyCTYYQXMLNWMXTK-UHFFFAOYSA-N
XLogP1.33
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
1-methyl-3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 120879868
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120878575
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
3-(2-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878635
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride (CID 120879613) is 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The InChIKey is CTYYQXMLNWMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.ClH/c1-22-10-8-21-19(22)16-12-20-7-11-24(16)18(26)13-23-9-6-17(25)14-4-2-3-5-15(14)23;/h2-6,8-10,16,20H,7,11-13H2,1H3;1H.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride is sourced from PubChem (CID 120879613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).