4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one

C18H14BrN3O — CID 67517926

IUPAC4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(Br)c2CN1CCc1ccc2ncccc2n1
InChIInChI=1S/C18H14BrN3O/c19-15-4-1-3-13-14(15)11-22(18(13)23)10-8-12-6-7-16-17(21-12)5-2-9-20-16/h1-7,9H,8,10-11H2
InChIKeyLNGJLWPNEDERNR-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.59
Rot. Bonds3

About 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one

4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one (PubChem CID 67517926) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
PubChem CID67517926
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
SMILESO=C1c2cccc(Br)c2CN1CCc1ccc2ncccc2n1
InChIInChI=1S/C18H14BrN3O/c19-15-4-1-3-13-14(15)11-22(18(13)23)10-8-12-6-7-16-17(21-12)5-2-9-20-16/h1-7,9H,8,10-11H2
InChIKeyLNGJLWPNEDERNR-UHFFFAOYSA-N
XLogP3.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one?
The IUPAC name of 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one (CID 67517926) is 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one is O=C1c2cccc(Br)c2CN1CCc1ccc2ncccc2n1.
What is the InChIKey of 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one?
The InChIKey is LNGJLWPNEDERNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-15-4-1-3-13-14(15)11-22(18(13)23)10-8-12-6-7-16-17(21-12)5-2-9-20-16/h1-7,9H,8,10-11H2.
What are the key properties of 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one?
4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one has a molecular weight of 368.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 67517926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).