6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

C25H19BrN2O3 — CID 3375091

IUPAC6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19BrN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyJENSSSIQWVZJOB-UHFFFAOYSA-N
MW475.34 g/mol
LogP5.83
Rot. Bonds4

About 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 3375091) has the molecular formula C25H19BrN2O3 and a molecular weight of 475.34 g/mol. Its IUPAC name is 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID3375091
Molecular FormulaC25H19BrN2O3
Molecular Weight475.34 g/mol
Exact Mass474.06
IUPAC Name6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19BrN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyJENSSSIQWVZJOB-UHFFFAOYSA-N
XLogP5.83
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.34
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-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 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 3375091) is 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is COc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)=NO2)cc1.
What is the InChIKey of 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is JENSSSIQWVZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29).
What are the key properties of 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 475.34 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 3375091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).