2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one

C18H16N2O — CID 116552536

IUPAC2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1cccc2ncccc12
InChIInChI=1S/C18H16N2O/c19-16(12-13-6-2-1-3-7-13)18(21)15-8-4-10-17-14(15)9-5-11-20-17/h1-11,16H,12,19H2
InChIKeyLWTWABDFIMNQSN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one

2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one (PubChem CID 116552536) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
PubChem CID116552536
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1cccc2ncccc12
InChIInChI=1S/C18H16N2O/c19-16(12-13-6-2-1-3-7-13)18(21)15-8-4-10-17-14(15)9-5-11-20-17/h1-11,16H,12,19H2
InChIKeyLWTWABDFIMNQSN-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
2-amino-1-isoquinolin-5-yl-3-phenylpropan-1-one
CID 116552610
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate
CID 176874481
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one (CID 116552536) is 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one is NC(Cc1ccccc1)C(=O)c1cccc2ncccc12.
What is the InChIKey of 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one?
The InChIKey is LWTWABDFIMNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16(12-13-6-2-1-3-7-13)18(21)15-8-4-10-17-14(15)9-5-11-20-17/h1-11,16H,12,19H2.
What are the key properties of 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one?
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one is sourced from PubChem (CID 116552536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).