7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione

C19H17ClN2O2 — CID 56947295

IUPAC7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione
SMILESCCN(CC)c1ccccc1-c1ccc2c(n1)C(=O)C(Cl)=CC2=O
InChIInChI=1S/C19H17ClN2O2/c1-3-22(4-2)16-8-6-5-7-12(16)15-10-9-13-17(23)11-14(20)19(24)18(13)21-15/h5-11H,3-4H2,1-2H3
InChIKeyZXROFWGAGXNEDY-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds4

About 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione

7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione (PubChem CID 56947295) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione
PubChem CID56947295
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione
SMILESCCN(CC)c1ccccc1-c1ccc2c(n1)C(=O)C(Cl)=CC2=O
InChIInChI=1S/C19H17ClN2O2/c1-3-22(4-2)16-8-6-5-7-12(16)15-10-9-13-17(23)11-14(20)19(24)18(13)21-15/h5-11H,3-4H2,1-2H3
InChIKeyZXROFWGAGXNEDY-UHFFFAOYSA-N
XLogP4.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione?
The IUPAC name of 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione (CID 56947295) is 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione.
What is the SMILES notation for 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione?
The canonical SMILES for 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione is CCN(CC)c1ccccc1-c1ccc2c(n1)C(=O)C(Cl)=CC2=O.
What is the InChIKey of 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione?
The InChIKey is ZXROFWGAGXNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-22(4-2)16-8-6-5-7-12(16)15-10-9-13-17(23)11-14(20)19(24)18(13)21-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione?
7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione has a molecular weight of 340.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione is sourced from PubChem (CID 56947295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).