7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione

C15H13NO2 — CID 18317774

IUPAC7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]ccc(=O)c21
InChIInChI=1S/C15H13NO2/c17-13-6-7-16-12-8-11(9-14(18)15(12)13)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17)
InChIKeyOPCGEBZEEMJFJY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.29
Rot. Bonds1

About 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione

7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione (PubChem CID 18317774) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione.

Molecular Properties

Compound Name7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
PubChem CID18317774
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]ccc(=O)c21
InChIInChI=1S/C15H13NO2/c17-13-6-7-16-12-8-11(9-14(18)15(12)13)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17)
InChIKeyOPCGEBZEEMJFJY-UHFFFAOYSA-N
XLogP2.29
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione?
The IUPAC name of 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione (CID 18317774) is 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione.
What is the SMILES notation for 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione?
The canonical SMILES for 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione is O=C1CC(c2ccccc2)Cc2[nH]ccc(=O)c21.
What is the InChIKey of 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione?
The InChIKey is OPCGEBZEEMJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-13-6-7-16-12-8-11(9-14(18)15(12)13)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17).
What are the key properties of 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione?
7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione has a molecular weight of 239.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione is sourced from PubChem (CID 18317774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).