1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one

C19H16N2OS — CID 142740751

IUPAC1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(-c3cscn3)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-19-9-7-16-10-15(17-12-23-13-20-17)6-8-18(16)21(19)11-14-4-2-1-3-5-14/h1-6,8,10,12-13H,7,9,11H2
InChIKeyOUGZFBDRVZVGAK-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.29
Rot. Bonds3

About 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one

1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one (PubChem CID 142740751) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one
PubChem CID142740751
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(-c3cscn3)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-19-9-7-16-10-15(17-12-23-13-20-17)6-8-18(16)21(19)11-14-4-2-1-3-5-14/h1-6,8,10,12-13H,7,9,11H2
InChIKeyOUGZFBDRVZVGAK-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
1-(pyridin-2-ylmethyl)-7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 54323077
1-[(4-phenylphenyl)methyl]-7-(1,3-thiazol-5-ylmethyl)-3,4-dihydroquinolin-2-one
CID 141141986
4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
CID 145092401
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
6-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 91065239
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-chlorothiophene-2-sulfonamide
CID 16927394
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
CID 126572991
1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
CID 86301465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one (CID 142740751) is 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(-c3cscn3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is OUGZFBDRVZVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-19-9-7-16-10-15(17-12-23-13-20-17)6-8-18(16)21(19)11-14-4-2-1-3-5-14/h1-6,8,10,12-13H,7,9,11H2.
What are the key properties of 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 320.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(1,3-thiazol-4-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 142740751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).