9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

C19H16FNO3 — CID 5384552

IUPAC9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SMILESCn1c2ccc(F)cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3
InChIInChI=1S/C19H16FNO3/c1-19(2)7-6-11-15(24-19)9-14(22)16-17(11)21(3)13-5-4-10(20)8-12(13)18(16)23/h4-9,22H,1-3H3
InChIKeyGIVUUDRTICQXIC-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.72
Rot. Bonds

About 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (PubChem CID 5384552) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
PubChem CID5384552
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SMILESCn1c2ccc(F)cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3
InChIInChI=1S/C19H16FNO3/c1-19(2)7-6-11-15(24-19)9-14(22)16-17(11)21(3)13-5-4-10(20)8-12(13)18(16)23/h4-9,22H,1-3H3
InChIKeyGIVUUDRTICQXIC-UHFFFAOYSA-N
XLogP3.72
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The IUPAC name of 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (CID 5384552) is 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The canonical SMILES for 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is Cn1c2ccc(F)cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3.
What is the InChIKey of 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The InChIKey is GIVUUDRTICQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-19(2)7-6-11-15(24-19)9-14(22)16-17(11)21(3)13-5-4-10(20)8-12(13)18(16)23/h4-9,22H,1-3H3.
What are the key properties of 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one has a molecular weight of 325.34 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 5384552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).