6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

C11H10BrN3O — CID 21276772

IUPAC6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESO=C1CC2=C(CN1)c1cccnc1N(Br)C2
InChIInChI=1S/C11H10BrN3O/c12-15-6-7-4-10(16)14-5-9(7)8-2-1-3-13-11(8)15/h1-3H,4-6H2,(H,14,16)
InChIKeyKNEMFUFOWROHGH-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.49
Rot. Bonds

About 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (PubChem CID 21276772) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
PubChem CID21276772
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESO=C1CC2=C(CN1)c1cccnc1N(Br)C2
InChIInChI=1S/C11H10BrN3O/c12-15-6-7-4-10(16)14-5-9(7)8-2-1-3-13-11(8)15/h1-3H,4-6H2,(H,14,16)
InChIKeyKNEMFUFOWROHGH-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The IUPAC name of 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (CID 21276772) is 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.
What is the SMILES notation for 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The canonical SMILES for 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is O=C1CC2=C(CN1)c1cccnc1N(Br)C2.
What is the InChIKey of 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The InChIKey is KNEMFUFOWROHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-15-6-7-4-10(16)14-5-9(7)8-2-1-3-13-11(8)15/h1-3H,4-6H2,(H,14,16).
What are the key properties of 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one has a molecular weight of 280.12 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is sourced from PubChem (CID 21276772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).