6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C21H24N4O2 — CID 95190113

IUPAC6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)c4nccn4C)C3)cc2c1
InChIInChI=1S/C21H24N4O2/c1-14-5-6-18-16(10-14)11-17(21(27)23-18)13-25-8-3-4-15(12-25)19(26)20-22-7-9-24(20)2/h5-7,9-11,15H,3-4,8,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyMCKBGHKQUPWNHU-OAHLLOKOSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds4

About 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95190113) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95190113
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)c4nccn4C)C3)cc2c1
InChIInChI=1S/C21H24N4O2/c1-14-5-6-18-16(10-14)11-17(21(27)23-18)13-25-8-3-4-15(12-25)19(26)20-22-7-9-24(20)2/h5-7,9-11,15H,3-4,8,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyMCKBGHKQUPWNHU-OAHLLOKOSA-N
XLogP2.66
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72906962
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 95190113) is 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)c4nccn4C)C3)cc2c1.
What is the InChIKey of 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is MCKBGHKQUPWNHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-6-18-16(10-14)11-17(21(27)23-18)13-25-8-3-4-15(12-25)19(26)20-22-7-9-24(20)2/h5-7,9-11,15H,3-4,8,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95190113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).