2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one

C23H13FN2O5 — CID 118723558

IUPAC2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(F)cc12
InChIInChI=1S/C23H13FN2O5/c1-30-14-3-6-15-16(11-14)23(27)22-17-10-12(24)2-7-18(17)25-19(21(15)22)8-4-13-5-9-20(31-13)26(28)29/h2-11H,1H3/b8-4+
InChIKeyVDZVSNPXMIVNMB-XBXARRHUSA-N
MW416.36 g/mol
LogP5.27
Rot. Bonds4

About 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one

2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 118723558) has the molecular formula C23H13FN2O5 and a molecular weight of 416.36 g/mol. Its IUPAC name is 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one
PubChem CID118723558
Molecular FormulaC23H13FN2O5
Molecular Weight416.36 g/mol
Exact Mass416.08
IUPAC Name2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(F)cc12
InChIInChI=1S/C23H13FN2O5/c1-30-14-3-6-15-16(11-14)23(27)22-17-10-12(24)2-7-18(17)25-19(21(15)22)8-4-13-5-9-20(31-13)26(28)29/h2-11H,1H3/b8-4+
InChIKeyVDZVSNPXMIVNMB-XBXARRHUSA-N
XLogP5.27
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one (CID 118723558) is 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one is COc1ccc2c(c1)C(=O)c1c-2c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(F)cc12.
What is the InChIKey of 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is VDZVSNPXMIVNMB-XBXARRHUSA-N. The full InChI is InChI=1S/C23H13FN2O5/c1-30-14-3-6-15-16(11-14)23(27)22-17-10-12(24)2-7-18(17)25-19(21(15)22)8-4-13-5-9-20(31-13)26(28)29/h2-11H,1H3/b8-4+.
What are the key properties of 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one?
2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 416.36 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-methoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 118723558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).