4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one

C23H16N2O2 — CID 148695436

IUPAC4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccccc1
InChIInChI=1S/C23H16N2O2/c26-23-15-27-22-11-10-16(13-21(22)25(23)19-7-2-1-3-8-19)18-12-17-6-4-5-9-20(17)24-14-18/h1-14H,15H2
InChIKeyNUHWYFGPJVVHHL-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.96
Rot. Bonds2

About 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one

4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one (PubChem CID 148695436) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one
PubChem CID148695436
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccccc1
InChIInChI=1S/C23H16N2O2/c26-23-15-27-22-11-10-16(13-21(22)25(23)19-7-2-1-3-8-19)18-12-17-6-4-5-9-20(17)24-14-18/h1-14H,15H2
InChIKeyNUHWYFGPJVVHHL-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one 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-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one (CID 148695436) is 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccccc1.
What is the InChIKey of 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The InChIKey is NUHWYFGPJVVHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-23-15-27-22-11-10-16(13-21(22)25(23)19-7-2-1-3-8-19)18-12-17-6-4-5-9-20(17)24-14-18/h1-14H,15H2.
What are the key properties of 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one has a molecular weight of 352.39 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-quinolin-3-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 148695436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).