3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione

C13H7BrN2O2 — CID 11141199

IUPAC3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CBr)cc21
InChIInChI=1S/C13H7BrN2O2/c14-5-7-4-9-11(16-6-7)13(18)10-8(12(9)17)2-1-3-15-10/h1-4,6H,5H2
InChIKeyBURDIDMYOSZEKU-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.15
Rot. Bonds1

About 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione

3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione (PubChem CID 11141199) has the molecular formula C13H7BrN2O2 and a molecular weight of 303.12 g/mol. Its IUPAC name is 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
PubChem CID11141199
Molecular FormulaC13H7BrN2O2
Molecular Weight303.12 g/mol
Exact Mass301.97
IUPAC Name3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CBr)cc21
InChIInChI=1S/C13H7BrN2O2/c14-5-7-4-9-11(16-6-7)13(18)10-8(12(9)17)2-1-3-15-10/h1-4,6H,5H2
InChIKeyBURDIDMYOSZEKU-UHFFFAOYSA-N
XLogP2.15
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione (CID 11141199) is 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione is O=C1c2cccnc2C(=O)c2ncc(CBr)cc21.
What is the InChIKey of 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is BURDIDMYOSZEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN2O2/c14-5-7-4-9-11(16-6-7)13(18)10-8(12(9)17)2-1-3-15-10/h1-4,6H,5H2.
What are the key properties of 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione?
3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 303.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 11141199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).