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

C18H12ClN3O2 — CID 135531176

IUPAC3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESNc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,(H2,20,22)(H,21,23)
InChIKeyRXDHJXUKBGSFRS-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.09
Rot. Bonds2

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

3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one (PubChem CID 135531176) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one
PubChem CID135531176
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESNc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,(H2,20,22)(H,21,23)
InChIKeyRXDHJXUKBGSFRS-UHFFFAOYSA-N
XLogP4.09
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one (CID 135531176) is 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one is Nc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one?
The InChIKey is RXDHJXUKBGSFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,(H2,20,22)(H,21,23).
What are the key properties of 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one?
3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one has a molecular weight of 337.77 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-oxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135531176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).