2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone

C16H15N3O — CID 105116313

IUPAC2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccn2C)c2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-11-9-13(12-5-3-4-6-14(12)18-11)15(20)10-16-17-7-8-19(16)2/h3-9H,10H2,1-2H3
InChIKeyUXJGYFPJLLYGBY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.70
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone

2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone (PubChem CID 105116313) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
PubChem CID105116313
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccn2C)c2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-11-9-13(12-5-3-4-6-14(12)18-11)15(20)10-16-17-7-8-19(16)2/h3-9H,10H2,1-2H3
InChIKeyUXJGYFPJLLYGBY-UHFFFAOYSA-N
XLogP2.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ondansetron
CID 4595
Ondansetron Hydrochloride
CID 68647
Zofran
CID 59774
Cilansetron
CID 6918107
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
CID 5311136
(R)-Ondansetron
CID 667538
Ondansetron, (3S)-
CID 698135
3-Imidazol-1-yl-quinoline
CID 12354256
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone (CID 105116313) is 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone is Cc1cc(C(=O)Cc2nccn2C)c2ccccc2n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone?
The InChIKey is UXJGYFPJLLYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-9-13(12-5-3-4-6-14(12)18-11)15(20)10-16-17-7-8-19(16)2/h3-9H,10H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone?
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone has a molecular weight of 265.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone is sourced from PubChem (CID 105116313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).