2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

C21H24N4O2 — CID 72898151

IUPAC2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)n1ccnc1C1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-11-9-22-20(25)15-6-5-10-24(13-15)21(27)18-12-19(26)16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3,(H,23,26)
InChIKeyFRUJDYXVCQDQLG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.33
Rot. Bonds3

About 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 72898151) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID72898151
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(C)n1ccnc1C1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-11-9-22-20(25)15-6-5-10-24(13-15)21(27)18-12-19(26)16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3,(H,23,26)
InChIKeyFRUJDYXVCQDQLG-UHFFFAOYSA-N
XLogP3.33
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97285996
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 97281034
8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72845717
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97282923
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
2-methyl-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98301611
[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 72898151) is 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is CC(C)n1ccnc1C1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1.
What is the InChIKey of 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is FRUJDYXVCQDQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)25-11-9-22-20(25)15-6-5-10-24(13-15)21(27)18-12-19(26)16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 72898151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).