3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one

C18H16N2O — CID 103133119

IUPAC3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
SMILESNCC(C(=O)c1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-11-16(13-5-2-1-3-6-13)18(21)15-8-4-7-14-9-10-20-12-17(14)15/h1-10,12,16H,11,19H2
InChIKeyQFHZOBXCKJJLDY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one

3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one (PubChem CID 103133119) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
PubChem CID103133119
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
SMILESNCC(C(=O)c1cccc2ccncc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-11-16(13-5-2-1-3-6-13)18(21)15-8-4-7-14-9-10-20-12-17(14)15/h1-10,12,16H,11,19H2
InChIKeyQFHZOBXCKJJLDY-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-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
CID 103458218
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
isoquinoline-8-carboxylate
CID 86306452
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
CID 175026342
2-amino-1-isoquinolin-5-yl-3-phenylpropan-1-one
CID 116552610
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one (CID 103133119) is 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one is NCC(C(=O)c1cccc2ccncc12)c1ccccc1.
What is the InChIKey of 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one?
The InChIKey is QFHZOBXCKJJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-11-16(13-5-2-1-3-6-13)18(21)15-8-4-7-14-9-10-20-12-17(14)15/h1-10,12,16H,11,19H2.
What are the key properties of 3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one?
3-amino-1-isoquinolin-8-yl-2-phenylpropan-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-1-isoquinolin-8-yl-2-phenylpropan-1-one is sourced from PubChem (CID 103133119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).