1-phenyl-2-quinolin-8-ylethanone

C17H13NO — CID 171934139

IUPAC1-phenyl-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13NO/c19-16(13-6-2-1-3-7-13)12-15-9-4-8-14-10-5-11-18-17(14)15/h1-11H,12H2
InChIKeyQRVRLMINERRFIR-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.66
Rot. Bonds3

About 1-phenyl-2-quinolin-8-ylethanone

1-phenyl-2-quinolin-8-ylethanone (PubChem CID 171934139) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-phenyl-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-quinolin-8-ylethanone
PubChem CID171934139
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name1-phenyl-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13NO/c19-16(13-6-2-1-3-7-13)12-15-9-4-8-14-10-5-11-18-17(14)15/h1-11H,12H2
InChIKeyQRVRLMINERRFIR-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
CID 619121
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
(7S)-4-[4-(2-quinolin-8-ylacetyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 161394570
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
ethyl 2-quinolin-8-ylacetate
CID 52562898
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-quinolin-8-ylethanone?
The IUPAC name of 1-phenyl-2-quinolin-8-ylethanone (CID 171934139) is 1-phenyl-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-phenyl-2-quinolin-8-ylethanone?
The canonical SMILES for 1-phenyl-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-quinolin-8-ylethanone?
The InChIKey is QRVRLMINERRFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-16(13-6-2-1-3-7-13)12-15-9-4-8-14-10-5-11-18-17(14)15/h1-11H,12H2.
What are the key properties of 1-phenyl-2-quinolin-8-ylethanone?
1-phenyl-2-quinolin-8-ylethanone has a molecular weight of 247.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-quinolin-8-ylethanone is sourced from PubChem (CID 171934139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).