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

C17H13ClN2O2 — CID 57329211

IUPAC7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione
SMILESO=C1C=C(NCCc2ccccc2Cl)C(=O)c2ncccc21
InChIInChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-11(13)7-9-19-14-10-15(21)12-5-3-8-20-16(12)17(14)22/h1-6,8,10,19H,7,9H2
InChIKeyHSFDJXJQVBURLQ-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.83
Rot. Bonds4

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

7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione (PubChem CID 57329211) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione.

Molecular Properties

Compound Name7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione
PubChem CID57329211
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione
SMILESO=C1C=C(NCCc2ccccc2Cl)C(=O)c2ncccc21
InChIInChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-11(13)7-9-19-14-10-15(21)12-5-3-8-20-16(12)17(14)22/h1-6,8,10,19H,7,9H2
InChIKeyHSFDJXJQVBURLQ-UHFFFAOYSA-N
XLogP2.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chlorophenyl)ethylamino]quinoline-5,8-dione?
The IUPAC name of 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione (CID 57329211) is 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione.
What is the SMILES notation for 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione?
The canonical SMILES for 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione is O=C1C=C(NCCc2ccccc2Cl)C(=O)c2ncccc21.
What is the InChIKey of 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione?
The InChIKey is HSFDJXJQVBURLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-11(13)7-9-19-14-10-15(21)12-5-3-8-20-16(12)17(14)22/h1-6,8,10,19H,7,9H2.
What are the key properties of 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione?
7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione has a molecular weight of 312.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-chlorophenyl)ethylamino]quinoline-5,8-dione is sourced from PubChem (CID 57329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).