4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

C21H24N4O2 — CID 70780587

IUPAC4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCCCC3CCn3ccnc3)c2c1
InChIInChI=1S/C21H24N4O2/c1-15-5-6-19-17(12-15)18(13-20(26)23-19)21(27)25-9-3-2-4-16(25)7-10-24-11-8-22-14-24/h5-6,8,11-14,16H,2-4,7,9-10H2,1H3,(H,23,26)
InChIKeyIGTXDAGAQSSBFD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (PubChem CID 70780587) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
PubChem CID70780587
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCCCC3CCn3ccnc3)c2c1
InChIInChI=1S/C21H24N4O2/c1-15-5-6-19-17(12-15)18(13-20(26)23-19)21(27)25-9-3-2-4-16(25)7-10-24-11-8-22-14-24/h5-6,8,11-14,16H,2-4,7,9-10H2,1H3,(H,23,26)
InChIKeyIGTXDAGAQSSBFD-UHFFFAOYSA-N
XLogP3.12
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (CID 70780587) is 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCCCC3CCn3ccnc3)c2c1.
What is the InChIKey of 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is IGTXDAGAQSSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-5-6-19-17(12-15)18(13-20(26)23-19)21(27)25-9-3-2-4-16(25)7-10-24-11-8-22-14-24/h5-6,8,11-14,16H,2-4,7,9-10H2,1H3,(H,23,26).
What are the key properties of 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 70780587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).