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

C17H13NO — CID 39226651

IUPAC1-(4-quinolin-2-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H13NO/c1-12(19)13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)18-17/h2-11H,1H3
InChIKeyXQILGNWQQCWFFA-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.10
Rot. Bonds2

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

1-(4-quinolin-2-ylphenyl)ethanone (PubChem CID 39226651) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-quinolin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-quinolin-2-ylphenyl)ethanone
PubChem CID39226651
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name1-(4-quinolin-2-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H13NO/c1-12(19)13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)18-17/h2-11H,1H3
InChIKeyXQILGNWQQCWFFA-UHFFFAOYSA-N
XLogP4.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
4-(4-quinolin-2-ylphenyl)butan-2-one
CID 82540955
1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
iridium;tris(2-phenylquinoline)
CID 122129463
1-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanone
CID 892532
3,5-bis[2-(4-quinolin-2-ylphenyl)phenyl]benzoyl chloride;methane
CID 160911064
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
2-(4-propylphenyl)quinoline
CID 69251676
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153

Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-quinolin-2-ylphenyl)ethanone (CID 39226651) is 1-(4-quinolin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-quinolin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-quinolin-2-ylphenyl)ethanone is CC(=O)c1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 1-(4-quinolin-2-ylphenyl)ethanone?
The InChIKey is XQILGNWQQCWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-12(19)13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)18-17/h2-11H,1H3.
What are the key properties of 1-(4-quinolin-2-ylphenyl)ethanone?
1-(4-quinolin-2-ylphenyl)ethanone has a molecular weight of 247.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-2-ylphenyl)ethanone is sourced from PubChem (CID 39226651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).