1-(2-methyl-4-quinolin-4-ylphenyl)ethanone

C18H15NO — CID 142581738

IUPAC1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C18H15NO/c1-12-11-14(7-8-15(12)13(2)20)16-9-10-19-18-6-4-3-5-17(16)18/h3-11H,1-2H3
InChIKeyRWJSQFFAXMDDTD-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.41
Rot. Bonds2

About 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone

1-(2-methyl-4-quinolin-4-ylphenyl)ethanone (PubChem CID 142581738) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
PubChem CID142581738
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C18H15NO/c1-12-11-14(7-8-15(12)13(2)20)16-9-10-19-18-6-4-3-5-17(16)18/h3-11H,1-2H3
InChIKeyRWJSQFFAXMDDTD-UHFFFAOYSA-N
XLogP4.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)quinoline
CID 146587179
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
4-methyl-3-quinolin-4-ylbenzamide
CID 166389470
4-naphthalen-2-ylquinoline
CID 14173372
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
4,4,4-trichloro-1-(4-quinolin-4-ylphenyl)butan-1-one
CID 175348866
4-(3-fluorophenyl)quinoline
CID 141309372
1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
CID 58315812
4-pyrimidin-2-ylquinoline
CID 123157198
7-quinolin-4-yl-1H-quinolin-2-one
CID 175792512

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone (CID 142581738) is 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone is CC(=O)c1ccc(-c2ccnc3ccccc23)cc1C.
What is the InChIKey of 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone?
The InChIKey is RWJSQFFAXMDDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-11-14(7-8-15(12)13(2)20)16-9-10-19-18-6-4-3-5-17(16)18/h3-11H,1-2H3.
What are the key properties of 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone?
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-quinolin-4-ylphenyl)ethanone is sourced from PubChem (CID 142581738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).