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

C24H16ClFN2O2 — CID 4060487

IUPAC6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H16ClFN2O2/c25-16-8-11-19-18(12-16)22(15-4-2-1-3-5-15)23(24(29)27-19)20-13-21(30-28-20)14-6-9-17(26)10-7-14/h1-12,21H,13H2,(H,27,29)
InChIKeyNFMMZKMQOLNCTC-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.85
Rot. Bonds3

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

6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 4060487) has the molecular formula C24H16ClFN2O2 and a molecular weight of 418.86 g/mol. Its IUPAC name is 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID4060487
Molecular FormulaC24H16ClFN2O2
Molecular Weight418.86 g/mol
Exact Mass418.09
IUPAC Name6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H16ClFN2O2/c25-16-8-11-19-18(12-16)22(15-4-2-1-3-5-15)23(24(29)27-19)20-13-21(30-28-20)14-6-9-17(26)10-7-14/h1-12,21H,13H2,(H,27,29)
InChIKeyNFMMZKMQOLNCTC-UHFFFAOYSA-N
XLogP5.85
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 4060487) is 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1.
What is the InChIKey of 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is NFMMZKMQOLNCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O2/c25-16-8-11-19-18(12-16)22(15-4-2-1-3-5-15)23(24(29)27-19)20-13-21(30-28-20)14-6-9-17(26)10-7-14/h1-12,21H,13H2,(H,27,29).
What are the key properties of 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 418.86 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 4060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).