4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

C15H13NO3 — CID 54695659

IUPAC4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(-c3ccccc3)c(O)c21
InChIInChI=1S/C15H13NO3/c17-11-8-4-7-10-13(11)14(18)12(15(19)16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18,19)
InChIKeyKMMGNXSGOMDBMP-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.27
Rot. Bonds1

About 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 54695659) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID54695659
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(-c3ccccc3)c(O)c21
InChIInChI=1S/C15H13NO3/c17-11-8-4-7-10-13(11)14(18)12(15(19)16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18,19)
InChIKeyKMMGNXSGOMDBMP-UHFFFAOYSA-N
XLogP2.27
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 54695659) is 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CCCc2[nH]c(=O)c(-c3ccccc3)c(O)c21.
What is the InChIKey of 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is KMMGNXSGOMDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-11-8-4-7-10-13(11)14(18)12(15(19)16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18,19).
What are the key properties of 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 255.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 54695659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).