6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one

C9H9BrN2O — CID 15926041

IUPAC6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCN1C(=O)CCc2cc(Br)cnc21
InChIInChI=1S/C9H9BrN2O/c1-12-8(13)3-2-6-4-7(10)5-11-9(6)12/h4-5H,2-3H2,1H3
InChIKeyQRPJXGMXJQJGRE-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.75
Rot. Bonds

About 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one

6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 15926041) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID15926041
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCN1C(=O)CCc2cc(Br)cnc21
InChIInChI=1S/C9H9BrN2O/c1-12-8(13)3-2-6-4-7(10)5-11-9(6)12/h4-5H,2-3H2,1H3
InChIKeyQRPJXGMXJQJGRE-UHFFFAOYSA-N
XLogP1.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one (CID 15926041) is 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one is CN1C(=O)CCc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is QRPJXGMXJQJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-8(13)3-2-6-4-7(10)5-11-9(6)12/h4-5H,2-3H2,1H3.
What are the key properties of 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 15926041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).