3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione

C13H8BrNO4 — CID 54718586

IUPAC3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(O)c(Br)c(=O)oc2c2ccccc21
InChIInChI=1S/C13H8BrNO4/c1-15-7-5-3-2-4-6(7)11-8(12(15)17)10(16)9(14)13(18)19-11/h2-5,16H,1H3
InChIKeyLMPXKYKNKVIOOE-UHFFFAOYSA-N
MW322.11 g/mol
LogP2.11
Rot. Bonds

About 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione

3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54718586) has the molecular formula C13H8BrNO4 and a molecular weight of 322.11 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID54718586
Molecular FormulaC13H8BrNO4
Molecular Weight322.11 g/mol
Exact Mass320.96
IUPAC Name3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(O)c(Br)c(=O)oc2c2ccccc21
InChIInChI=1S/C13H8BrNO4/c1-15-7-5-3-2-4-6(7)11-8(12(15)17)10(16)9(14)13(18)19-11/h2-5,16H,1H3
InChIKeyLMPXKYKNKVIOOE-UHFFFAOYSA-N
XLogP2.11
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione
CID 2784493
2-anilino-3-(4-bromophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887690
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-hydroxy-5-methyl-2-oxo-N-phenylpyrano[3,2-b]indole-3-carboxamide
CID 54696259
6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59241231
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-tert-butylsulfonyl-4-hydroxy-1-methylquinolin-2-one
CID 54699342
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione (CID 54718586) is 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione is Cn1c(=O)c2c(O)c(Br)c(=O)oc2c2ccccc21.
What is the InChIKey of 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is LMPXKYKNKVIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO4/c1-15-7-5-3-2-4-6(7)11-8(12(15)17)10(16)9(14)13(18)19-11/h2-5,16H,1H3.
What are the key properties of 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 322.11 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54718586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).