2-phenyl-1-quinolin-5-ylbutan-1-one

C19H17NO — CID 115789663

IUPAC2-phenyl-1-quinolin-5-ylbutan-1-one
SMILESCCC(C(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C19H17NO/c1-2-15(14-8-4-3-5-9-14)19(21)17-10-6-12-18-16(17)11-7-13-20-18/h3-13,15H,2H2,1H3
InChIKeyWSCPESKUJFZJJQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.61
Rot. Bonds4

About 2-phenyl-1-quinolin-5-ylbutan-1-one

2-phenyl-1-quinolin-5-ylbutan-1-one (PubChem CID 115789663) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-phenyl-1-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name2-phenyl-1-quinolin-5-ylbutan-1-one
PubChem CID115789663
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-phenyl-1-quinolin-5-ylbutan-1-one
SMILESCCC(C(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C19H17NO/c1-2-15(14-8-4-3-5-9-14)19(21)17-10-6-12-18-16(17)11-7-13-20-18/h3-13,15H,2H2,1H3
InChIKeyWSCPESKUJFZJJQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
3-quinolin-4-ylpentan-2-one
CID 63196425
2-quinolin-5-ylpentanoic acid
CID 83042751
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
1-quinolin-5-ylhexan-1-one
CID 115789824
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
3-ethyl-1-quinolin-5-ylheptan-1-one
CID 105082043

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-quinolin-5-ylbutan-1-one?
The IUPAC name of 2-phenyl-1-quinolin-5-ylbutan-1-one (CID 115789663) is 2-phenyl-1-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 2-phenyl-1-quinolin-5-ylbutan-1-one?
The canonical SMILES for 2-phenyl-1-quinolin-5-ylbutan-1-one is CCC(C(=O)c1cccc2ncccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-1-quinolin-5-ylbutan-1-one?
The InChIKey is WSCPESKUJFZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-15(14-8-4-3-5-9-14)19(21)17-10-6-12-18-16(17)11-7-13-20-18/h3-13,15H,2H2,1H3.
What are the key properties of 2-phenyl-1-quinolin-5-ylbutan-1-one?
2-phenyl-1-quinolin-5-ylbutan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 115789663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).