7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione

C21H14N2O3 — CID 149136529

IUPAC7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione
SMILESNC1=CC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)nc2C1=O
InChIInChI=1S/C21H14N2O3/c22-17-12-19(24)16-10-11-18(23-20(16)21(17)25)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-12H,22H2
InChIKeyRFQQUODXTKSFJR-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.76
Rot. Bonds3

About 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione

7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione (PubChem CID 149136529) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione.

Molecular Properties

Compound Name7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione
PubChem CID149136529
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione
SMILESNC1=CC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)nc2C1=O
InChIInChI=1S/C21H14N2O3/c22-17-12-19(24)16-10-11-18(23-20(16)21(17)25)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-12H,22H2
InChIKeyRFQQUODXTKSFJR-UHFFFAOYSA-N
XLogP3.76
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione?
The IUPAC name of 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione (CID 149136529) is 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione.
What is the SMILES notation for 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione?
The canonical SMILES for 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione is NC1=CC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)nc2C1=O.
What is the InChIKey of 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione?
The InChIKey is RFQQUODXTKSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c22-17-12-19(24)16-10-11-18(23-20(16)21(17)25)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-12H,22H2.
What are the key properties of 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione?
7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione has a molecular weight of 342.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-phenoxyphenyl)quinoline-5,8-dione is sourced from PubChem (CID 149136529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).