7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione

C17H14N2O3 — CID 15663345

IUPAC7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
SMILESO=C1C=C(NCCc2ccc(O)cc2)C(=O)c2ncccc21
InChIInChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8,10,18,20H,7,9H2
InChIKeyRPMGREZBIBEXCS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.88
Rot. Bonds4

About 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione

7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione (PubChem CID 15663345) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione.

Molecular Properties

Compound Name7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
PubChem CID15663345
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
SMILESO=C1C=C(NCCc2ccc(O)cc2)C(=O)c2ncccc21
InChIInChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8,10,18,20H,7,9H2
InChIKeyRPMGREZBIBEXCS-UHFFFAOYSA-N
XLogP1.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione?
The IUPAC name of 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione (CID 15663345) is 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione.
What is the SMILES notation for 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione?
The canonical SMILES for 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione is O=C1C=C(NCCc2ccc(O)cc2)C(=O)c2ncccc21.
What is the InChIKey of 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione?
The InChIKey is RPMGREZBIBEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8,10,18,20H,7,9H2.
What are the key properties of 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione?
7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione has a molecular weight of 294.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-hydroxyphenyl)ethylamino]quinoline-5,8-dione is sourced from PubChem (CID 15663345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).