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

C14H11NO4 — CID 110273333

IUPAC4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
SMILESCc1c(O)c2c(=O)n(C)c3ccccc3c2oc1=O
InChIInChI=1S/C14H11NO4/c1-7-11(16)10-12(19-14(7)18)8-5-3-4-6-9(8)15(2)13(10)17/h3-6,16H,1-2H3
InChIKeyKMIBLEDSSUUNPZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.66
Rot. Bonds

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

4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 110273333) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID110273333
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
SMILESCc1c(O)c2c(=O)n(C)c3ccccc3c2oc1=O
InChIInChI=1S/C14H11NO4/c1-7-11(16)10-12(19-14(7)18)8-5-3-4-6-9(8)15(2)13(10)17/h3-6,16H,1-2H3
InChIKeyKMIBLEDSSUUNPZ-UHFFFAOYSA-N
XLogP1.66
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
CID 54718586
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione
CID 2784493
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59241231
4-hydroxy-5-methyl-2-oxo-N-phenylpyrano[3,2-b]indole-3-carboxamide
CID 54696259
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511621
3-tert-butylsulfonyl-4-hydroxy-1-methylquinolin-2-one
CID 54699342
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione (CID 110273333) is 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione is Cc1c(O)c2c(=O)n(C)c3ccccc3c2oc1=O.
What is the InChIKey of 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is KMIBLEDSSUUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-7-11(16)10-12(19-14(7)18)8-5-3-4-6-9(8)15(2)13(10)17/h3-6,16H,1-2H3.
What are the key properties of 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 257.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 110273333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).