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

C24H16Cl2N2O2 — CID 135912379

IUPAC6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C24H16Cl2N2O2/c25-15-10-11-19-17(12-15)22(14-6-2-1-3-7-14)23(24(29)27-19)20-13-21(30-28-20)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,27,29)/t21-/m1/s1
InChIKeyOFUKKSPZMKXLAN-OAQYLSRUSA-N
MW435.31 g/mol
LogP6.37
Rot. Bonds3

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

6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 135912379) has the molecular formula C24H16Cl2N2O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID135912379
Molecular FormulaC24H16Cl2N2O2
Molecular Weight435.31 g/mol
Exact Mass434.06
IUPAC Name6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C24H16Cl2N2O2/c25-15-10-11-19-17(12-15)22(14-6-2-1-3-7-14)23(24(29)27-19)20-13-21(30-28-20)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,27,29)/t21-/m1/s1
InChIKeyOFUKKSPZMKXLAN-OAQYLSRUSA-N
XLogP6.37
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 135912379) is 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2Cl)C1.
What is the InChIKey of 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is OFUKKSPZMKXLAN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H16Cl2N2O2/c25-15-10-11-19-17(12-15)22(14-6-2-1-3-7-14)23(24(29)27-19)20-13-21(30-28-20)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,27,29)/t21-/m1/s1.
What are the key properties of 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 435.31 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5R)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135912379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).