9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

C17H10FNO3 — CID 25016975

IUPAC9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
InChIInChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
InChIKeyMZILYDLMSDTOPA-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.24
Rot. Bonds

About 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (PubChem CID 25016975) has the molecular formula C17H10FNO3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.

Molecular Properties

Compound Name9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
PubChem CID25016975
Molecular FormulaC17H10FNO3
Molecular Weight295.27 g/mol
Exact Mass295.06
IUPAC Name9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
InChIInChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
InChIKeyMZILYDLMSDTOPA-UHFFFAOYSA-N
XLogP3.24
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The IUPAC name of 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (CID 25016975) is 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.
What is the SMILES notation for 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The canonical SMILES for 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12.
What is the InChIKey of 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The InChIKey is MZILYDLMSDTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20).
What are the key properties of 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione has a molecular weight of 295.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is sourced from PubChem (CID 25016975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).