2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one

C17H18N2O — CID 82487041

IUPAC2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
SMILESNCCN1CCc2ccc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C17H18N2O/c18-9-11-19-10-8-14-6-7-15(12-16(14)17(19)20)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2
InChIKeyPMFQKXSVGVSJSS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one

2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 82487041) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID82487041
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
SMILESNCCN1CCc2ccc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C17H18N2O/c18-9-11-19-10-8-14-6-7-15(12-16(14)17(19)20)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2
InChIKeyPMFQKXSVGVSJSS-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-7-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 82130739
6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
CID 165177850
2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
CID 82279729
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
2-(3-fluoropropyl)-7-iodo-3,4-dihydroisoquinolin-1-one
CID 81110530
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]benzonitrile
CID 25217888
3-(7-iodo-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid
CID 79788391
7-iodo-2-propyl-3,4-dihydroisoquinolin-1-one
CID 79787698
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one (CID 82487041) is 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one is NCCN1CCc2ccc(-c3ccccc3)cc2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is PMFQKXSVGVSJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-9-11-19-10-8-14-6-7-15(12-16(14)17(19)20)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2.
What are the key properties of 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one?
2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 82487041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).