3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C18H12N2OS — CID 22638512

IUPAC3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12N2OS/c21-17-14(10-13-8-4-5-9-15(13)19-17)16-11-22-18(20-16)12-6-2-1-3-7-12/h1-11H,(H,19,21)
InChIKeyOANBFUCSFFQVAU-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.32
Rot. Bonds2

About 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one

3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 22638512) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID22638512
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12N2OS/c21-17-14(10-13-8-4-5-9-15(13)19-17)16-11-22-18(20-16)12-6-2-1-3-7-12/h1-11H,(H,19,21)
InChIKeyOANBFUCSFFQVAU-UHFFFAOYSA-N
XLogP4.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 22638512) is 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is OANBFUCSFFQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17-14(10-13-8-4-5-9-15(13)19-17)16-11-22-18(20-16)12-6-2-1-3-7-12/h1-11H,(H,19,21).
What are the key properties of 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 304.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 22638512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).