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

C24H17BrN2O2 — CID 136920119

IUPAC6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H17BrN2O2/c25-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23(24(28)26-19)20-14-21(29-27-20)15-7-3-1-4-8-15/h1-13,21H,14H2,(H,26,28)/t21-/m1/s1
InChIKeyZXLPPLNAHIWTJQ-OAQYLSRUSA-N
MW445.32 g/mol
LogP5.82
Rot. Bonds3

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

6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one (PubChem CID 136920119) has the molecular formula C24H17BrN2O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
PubChem CID136920119
Molecular FormulaC24H17BrN2O2
Molecular Weight445.32 g/mol
Exact Mass444.05
IUPAC Name6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H17BrN2O2/c25-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23(24(28)26-19)20-14-21(29-27-20)15-7-3-1-4-8-15/h1-13,21H,14H2,(H,26,28)/t21-/m1/s1
InChIKeyZXLPPLNAHIWTJQ-OAQYLSRUSA-N
XLogP5.82
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one?
The IUPAC name of 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one (CID 136920119) is 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one?
The InChIKey is ZXLPPLNAHIWTJQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H17BrN2O2/c25-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23(24(28)26-19)20-14-21(29-27-20)15-7-3-1-4-8-15/h1-13,21H,14H2,(H,26,28)/t21-/m1/s1.
What are the key properties of 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one?
6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one has a molecular weight of 445.32 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one is sourced from PubChem (CID 136920119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).