2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone

C19H14F3NO — CID 158347854

IUPAC2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc2cccc(CC(=O)c3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C19H14F3NO/c1-12-9-10-13-5-4-6-14(18(13)23-12)11-17(24)15-7-2-3-8-16(15)19(20,21)22/h2-10H,11H2,1H3
InChIKeyOHGSNBNELRJYBD-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.99
Rot. Bonds3

About 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone

2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 158347854) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID158347854
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc2cccc(CC(=O)c3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C19H14F3NO/c1-12-9-10-13-5-4-6-14(18(13)23-12)11-17(24)15-7-2-3-8-16(15)19(20,21)22/h2-10H,11H2,1H3
InChIKeyOHGSNBNELRJYBD-UHFFFAOYSA-N
XLogP4.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
gallium;hexakis(2-methylquinoline-8-carboxylic acid);tris(naphthalen-1-olate)
CID 173278662
2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 158324541
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
CID 87849940
CID 87849940
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
2-(1H-pyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 159419084
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone (CID 158347854) is 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone is Cc1ccc2cccc(CC(=O)c3ccccc3C(F)(F)F)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is OHGSNBNELRJYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-12-9-10-13-5-4-6-14(18(13)23-12)11-17(24)15-7-2-3-8-16(15)19(20,21)22/h2-10H,11H2,1H3.
What are the key properties of 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone?
2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 329.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 158347854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).