6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

C14H17FN2O2 — CID 142613417

IUPAC6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(OC/C(=C\F)CN)ccc2C1=O
InChIInChI=1S/C14H17FN2O2/c1-17-5-4-11-6-12(2-3-13(11)14(17)18)19-9-10(7-15)8-16/h2-3,6-7H,4-5,8-9,16H2,1H3/b10-7-
InChIKeyFPPJLRPZPCYBCI-YFHOEESVSA-N
MW264.30 g/mol
LogP1.51
Rot. Bonds4

About 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 142613417) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID142613417
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(OC/C(=C\F)CN)ccc2C1=O
InChIInChI=1S/C14H17FN2O2/c1-17-5-4-11-6-12(2-3-13(11)14(17)18)19-9-10(7-15)8-16/h2-3,6-7H,4-5,8-9,16H2,1H3/b10-7-
InChIKeyFPPJLRPZPCYBCI-YFHOEESVSA-N
XLogP1.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

Pxs-4728A
CID 71812246
Ebalzotan
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Sar-407899
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N-Methylcorydaldine
CID 303906
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
Pxs-4728
CID 71812247
2-((3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl)oxy)acetamide
CID 10271081
4-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzonitrile
CID 25218020
4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
CID 68504537
3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
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4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137363359

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 142613417) is 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(OC/C(=C\F)CN)ccc2C1=O.
What is the InChIKey of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is FPPJLRPZPCYBCI-YFHOEESVSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-17-5-4-11-6-12(2-3-13(11)14(17)18)19-9-10(7-15)8-16/h2-3,6-7H,4-5,8-9,16H2,1H3/b10-7-.
What are the key properties of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 264.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 142613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).