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

C19H21N5O2 — CID 120879614

IUPAC1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H21N5O2/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
InChIKeyODKIKVAAHCCNSO-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.91
Rot. Bonds3

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

1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 120879614) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID120879614
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H21N5O2/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
InChIKeyODKIKVAAHCCNSO-UHFFFAOYSA-N
XLogP0.91
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.91
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;hydrochloride
CID 120879613
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
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
3-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120878575
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192
5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 120877268
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one (CID 120879614) is 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one is 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?
The InChIKey is ODKIKVAAHCCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/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.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 0.91, 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 is sourced from PubChem (CID 120879614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).