8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one

C20H18FNO3 — CID 58026843

IUPAC8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one
SMILESCOc1cc2c(c3c(=O)oc4cc(F)ccc4c13)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H18FNO3/c1-10-9-20(2,3)22-13-8-15(24-4)17-12-6-5-11(21)7-14(12)25-19(23)18(17)16(10)13/h5-9,22H,1-4H3
InChIKeyBRVMPIPUKLSWME-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.70
Rot. Bonds1

About 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one

8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one (PubChem CID 58026843) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one.

Molecular Properties

Compound Name8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one
PubChem CID58026843
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one
SMILESCOc1cc2c(c3c(=O)oc4cc(F)ccc4c13)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H18FNO3/c1-10-9-20(2,3)22-13-8-15(24-4)17-12-6-5-11(21)7-14(12)25-19(23)18(17)16(10)13/h5-9,22H,1-4H3
InChIKeyBRVMPIPUKLSWME-UHFFFAOYSA-N
XLogP4.70
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The IUPAC name of 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one (CID 58026843) is 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one.
What is the SMILES notation for 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The canonical SMILES for 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one is COc1cc2c(c3c(=O)oc4cc(F)ccc4c13)C(C)=CC(C)(C)N2.
What is the InChIKey of 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The InChIKey is BRVMPIPUKLSWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-10-9-20(2,3)22-13-8-15(24-4)17-12-6-5-11(21)7-14(12)25-19(23)18(17)16(10)13/h5-9,22H,1-4H3.
What are the key properties of 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one?
8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one has a molecular weight of 339.37 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-11-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-one is sourced from PubChem (CID 58026843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).