6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one

C15H14N2O2S — CID 70956011

IUPAC6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C)cs3)cc2c1C
InChIInChI=1S/C15H14N2O2S/c1-8-7-20-15(16-8)12-6-11-9(2)13(19-3)5-4-10(11)14(18)17-12/h4-7H,1-3H3,(H,17,18)
InChIKeyQMWOKHJDPSDWKE-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.28
Rot. Bonds2

About 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one

6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one (PubChem CID 70956011) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
PubChem CID70956011
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C)cs3)cc2c1C
InChIInChI=1S/C15H14N2O2S/c1-8-7-20-15(16-8)12-6-11-9(2)13(19-3)5-4-10(11)14(18)17-12/h4-7H,1-3H3,(H,17,18)
InChIKeyQMWOKHJDPSDWKE-UHFFFAOYSA-N
XLogP3.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-Methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
CID 137647647
3-[2-[1-acetamido-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 46944192
3-[2-[acetamido-(3-methoxyphenyl)methyl]-4-thiazolyl]-N,N-diethylbenzamide
CID 46948394
1-[2,3-Dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384081
5-Methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 76336524
US9856220, Example 316
CID 89541135
US9856220, Example 255
CID 89541457
US9856220, Example 248
CID 89541555
US9856220, Example 247
CID 89541752
N-(2-methyl-1,3-thiazole-4-carboximidoyl)-4-(trifluoromethoxy)benzamide
CID 156609882
3-[2-[1-Acetamido-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]benzoic acid
CID 49778190
(4-{[4-(p-Methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)(3,4-xylyl)methanone
CID 29698638

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one (CID 70956011) is 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]c(-c3nc(C)cs3)cc2c1C.
What is the InChIKey of 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The InChIKey is QMWOKHJDPSDWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-7-20-15(16-8)12-6-11-9(2)13(19-3)5-4-10(11)14(18)17-12/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one has a molecular weight of 286.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one is sourced from PubChem (CID 70956011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).