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

C18H16N2O — CID 116567063

IUPAC3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
SMILESNCC(C(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-12-16(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
InChIKeyBLCSKDDQTYCKKK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.16
Rot. Bonds4

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

3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one (PubChem CID 116567063) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
PubChem CID116567063
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
SMILESNCC(C(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-12-16(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
InChIKeyBLCSKDDQTYCKKK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
CID 103133119
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
2-quinolin-5-ylpentanoic acid
CID 83042751
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one?
The IUPAC name of 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one (CID 116567063) is 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one.
What is the SMILES notation for 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one?
The canonical SMILES for 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one is NCC(C(=O)c1cccc2ncccc12)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one?
The InChIKey is BLCSKDDQTYCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-16(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 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one?
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one is sourced from PubChem (CID 116567063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).