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

C18H18FN3O2 — CID 146802310

IUPAC6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
SMILESNC/C(=C/F)COc1ccc2c(c1)CCN(c1ccccn1)C2=O
InChIInChI=1S/C18H18FN3O2/c19-10-13(11-20)12-24-15-4-5-16-14(9-15)6-8-22(18(16)23)17-3-1-2-7-21-17/h1-5,7,9-10H,6,8,11-12,20H2/b13-10-
InChIKeyRYDOWFXFLDCKHG-RAXLEYEMSA-N
MW327.36 g/mol
LogP2.48
Rot. Bonds5

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

6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 146802310) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
PubChem CID146802310
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
SMILESNC/C(=C/F)COc1ccc2c(c1)CCN(c1ccccn1)C2=O
InChIInChI=1S/C18H18FN3O2/c19-10-13(11-20)12-24-15-4-5-16-14(9-15)6-8-22(18(16)23)17-3-1-2-7-21-17/h1-5,7,9-10H,6,8,11-12,20H2/b13-10-
InChIKeyRYDOWFXFLDCKHG-RAXLEYEMSA-N
XLogP2.48
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one (CID 146802310) is 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one is NC/C(=C/F)COc1ccc2c(c1)CCN(c1ccccn1)C2=O.
What is the InChIKey of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is RYDOWFXFLDCKHG-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-10-13(11-20)12-24-15-4-5-16-14(9-15)6-8-22(18(16)23)17-3-1-2-7-21-17/h1-5,7,9-10H,6,8,11-12,20H2/b13-10-.
What are the key properties of 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one?
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 327.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 146802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).