6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

C12H13BrN2O2 — CID 168997620

IUPAC6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(Br)cnc2N1C1CC(O)C1
InChIInChI=1S/C12H13BrN2O2/c13-8-3-7-1-2-11(17)15(12(7)14-6-8)9-4-10(16)5-9/h3,6,9-10,16H,1-2,4-5H2
InChIKeyJRURAGYSZCITMF-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.65
Rot. Bonds1

About 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168997620) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168997620
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(Br)cnc2N1C1CC(O)C1
InChIInChI=1S/C12H13BrN2O2/c13-8-3-7-1-2-11(17)15(12(7)14-6-8)9-4-10(16)5-9/h3,6,9-10,16H,1-2,4-5H2
InChIKeyJRURAGYSZCITMF-UHFFFAOYSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (CID 168997620) is 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is O=C1CCc2cc(Br)cnc2N1C1CC(O)C1.
What is the InChIKey of 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is JRURAGYSZCITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-8-3-7-1-2-11(17)15(12(7)14-6-8)9-4-10(16)5-9/h3,6,9-10,16H,1-2,4-5H2.
What are the key properties of 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 297.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168997620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).