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

C24H17ClN2O2 — CID 2880527

IUPAC6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccccc2)C1
InChIInChI=1S/C24H17ClN2O2/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)
InChIKeyWJMACHCZLWAEOZ-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.71
Rot. Bonds3

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

6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one (PubChem CID 2880527) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one
PubChem CID2880527
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC Name6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccccc2)C1
InChIInChI=1S/C24H17ClN2O2/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)
InChIKeyWJMACHCZLWAEOZ-UHFFFAOYSA-N
XLogP5.71
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one (CID 2880527) is 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccccc2)C1.
What is the InChIKey of 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one?
The InChIKey is WJMACHCZLWAEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/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).
What are the key properties of 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one has a molecular weight of 400.87 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 2880527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).