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

C18H15N3O2S — CID 58910717

IUPAC6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(Nc4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C18H15N3O2S/c22-14-5-3-13(4-6-14)19-18-21-16(10-24-18)12-1-7-15-11(9-12)2-8-17(23)20-15/h1,3-7,9-10,22H,2,8H2,(H,19,21)(H,20,23)
InChIKeyJLUFXOLUEUXITE-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.14
Rot. Bonds3

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

6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 58910717) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID58910717
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(Nc4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C18H15N3O2S/c22-14-5-3-13(4-6-14)19-18-21-16(10-24-18)12-1-7-15-11(9-12)2-8-17(23)20-15/h1,3-7,9-10,22H,2,8H2,(H,19,21)(H,20,23)
InChIKeyJLUFXOLUEUXITE-UHFFFAOYSA-N
XLogP4.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 135221798
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 166186676
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 58910717) is 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3csc(Nc4ccc(O)cc4)n3)ccc2N1.
What is the InChIKey of 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JLUFXOLUEUXITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-14-5-3-13(4-6-14)19-18-21-16(10-24-18)12-1-7-15-11(9-12)2-8-17(23)20-15/h1,3-7,9-10,22H,2,8H2,(H,19,21)(H,20,23).
What are the key properties of 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 58910717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).