4-phenyl-1-quinolin-8-ylbutan-1-one

C19H17NO — CID 105093201

IUPAC4-phenyl-1-quinolin-8-ylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C19H17NO/c21-18(13-4-9-15-7-2-1-3-8-15)17-12-5-10-16-11-6-14-20-19(16)17/h1-3,5-8,10-12,14H,4,9,13H2
InChIKeyNQPABRNEDGPQAV-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.44
Rot. Bonds5

About 4-phenyl-1-quinolin-8-ylbutan-1-one

4-phenyl-1-quinolin-8-ylbutan-1-one (PubChem CID 105093201) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-phenyl-1-quinolin-8-ylbutan-1-one.

Molecular Properties

Compound Name4-phenyl-1-quinolin-8-ylbutan-1-one
PubChem CID105093201
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-phenyl-1-quinolin-8-ylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C19H17NO/c21-18(13-4-9-15-7-2-1-3-8-15)17-12-5-10-16-11-6-14-20-19(16)17/h1-3,5-8,10-12,14H,4,9,13H2
InChIKeyNQPABRNEDGPQAV-UHFFFAOYSA-N
XLogP4.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-quinolin-8-ylethanone
CID 10999362
5-phenyl-1-(8-sulfanylquinolin-5-yl)pentan-1-one
CID 161319830
palladium;quinoline-8-carboxylic acid
CID 174945118
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
CID 90579761
4-methyl-1-quinolin-8-ylhex-5-en-1-one
CID 100969950
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-quinolin-8-ylbutan-1-one?
The IUPAC name of 4-phenyl-1-quinolin-8-ylbutan-1-one (CID 105093201) is 4-phenyl-1-quinolin-8-ylbutan-1-one.
What is the SMILES notation for 4-phenyl-1-quinolin-8-ylbutan-1-one?
The canonical SMILES for 4-phenyl-1-quinolin-8-ylbutan-1-one is O=C(CCCc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of 4-phenyl-1-quinolin-8-ylbutan-1-one?
The InChIKey is NQPABRNEDGPQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-18(13-4-9-15-7-2-1-3-8-15)17-12-5-10-16-11-6-14-20-19(16)17/h1-3,5-8,10-12,14H,4,9,13H2.
What are the key properties of 4-phenyl-1-quinolin-8-ylbutan-1-one?
4-phenyl-1-quinolin-8-ylbutan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-quinolin-8-ylbutan-1-one is sourced from PubChem (CID 105093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).