6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C18H14N2O2S — CID 135705100

IUPAC6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C18H14N2O2S/c21-14-5-1-11(2-6-14)18-20-16(10-23-18)13-3-7-15-12(9-13)4-8-17(22)19-15/h1-3,5-7,9-10,21H,4,8H2,(H,19,22)
InChIKeyHEQZBIBYIQAUMZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.07
Rot. Bonds2

About 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 135705100) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID135705100
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C18H14N2O2S/c21-14-5-1-11(2-6-14)18-20-16(10-23-18)13-3-7-15-12(9-13)4-8-17(22)19-15/h1-3,5-7,9-10,21H,4,8H2,(H,19,22)
InChIKeyHEQZBIBYIQAUMZ-UHFFFAOYSA-N
XLogP4.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 135705100) is 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HEQZBIBYIQAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-14-5-1-11(2-6-14)18-20-16(10-23-18)13-3-7-15-12(9-13)4-8-17(22)19-15/h1-3,5-7,9-10,21H,4,8H2,(H,19,22).
What are the key properties of 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 322.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 135705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).