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

C20H23N5O2 — CID 90649454

IUPAC1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCn1ccnc1CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1
InChIInChI=1S/C20H23N5O2/c1-22-9-7-21-19(22)14-23-10-12-24(13-11-23)20(27)15-25-8-6-18(26)16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3
InChIKeyXSSLHOKJVFUSRE-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.08
Rot. Bonds4

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

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 90649454) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID90649454
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCn1ccnc1CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1
InChIInChI=1S/C20H23N5O2/c1-22-9-7-21-19(22)14-23-10-12-24(13-11-23)20(27)15-25-8-6-18(26)16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3
InChIKeyXSSLHOKJVFUSRE-UHFFFAOYSA-N
XLogP1.08
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one with MolForge

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Related Compounds

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-bromoquinolin-4-one
CID 100737310
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 97154142
4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
CID 72853474
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726
1-[2-(6-fluoro-6-methyl-1,4-diazepan-1-yl)-2-oxoethyl]quinolin-4-one
CID 138001603
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one (CID 90649454) is 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one is Cn1ccnc1CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is XSSLHOKJVFUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-22-9-7-21-19(22)14-23-10-12-24(13-11-23)20(27)15-25-8-6-18(26)16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 90649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).