3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid

C24H14N2O5 — CID 1026767

IUPAC3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccc3ccccc3c12
InChIInChI=1S/C24H14N2O5/c27-24(28)17-13-19(25-18-10-9-14-5-1-2-6-15(14)23(17)18)22-12-11-21(31-22)16-7-3-4-8-20(16)26(29)30/h1-13H,(H,27,28)
InChIKeyKADFNFMILGHRCN-UHFFFAOYSA-N
MW410.39 g/mol
LogP5.92
Rot. Bonds4

About 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid

3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid (PubChem CID 1026767) has the molecular formula C24H14N2O5 and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
PubChem CID1026767
Molecular FormulaC24H14N2O5
Molecular Weight410.39 g/mol
Exact Mass410.09
IUPAC Name3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccc3ccccc3c12
InChIInChI=1S/C24H14N2O5/c27-24(28)17-13-19(25-18-10-9-14-5-1-2-6-15(14)23(17)18)22-12-11-21(31-22)16-7-3-4-8-20(16)26(29)30/h1-13H,(H,27,28)
InChIKeyKADFNFMILGHRCN-UHFFFAOYSA-N
XLogP5.92
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The IUPAC name of 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid (CID 1026767) is 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid.
What is the SMILES notation for 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The canonical SMILES for 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccc3ccccc3c12.
What is the InChIKey of 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The InChIKey is KADFNFMILGHRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O5/c27-24(28)17-13-19(25-18-10-9-14-5-1-2-6-15(14)23(17)18)22-12-11-21(31-22)16-7-3-4-8-20(16)26(29)30/h1-13H,(H,27,28).
What are the key properties of 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid has a molecular weight of 410.39 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-nitrophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid is sourced from PubChem (CID 1026767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).