1,3-benzothiazole;4-methyl-1H-quinolin-2-one

C17H14N2OS — CID 159160128

IUPAC1,3-benzothiazole;4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccccc12.c1ccc2scnc2c1
InChIInChI=1S/C10H9NO.C7H5NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7/h2-6H,1H3,(H,11,12);1-5H
InChIKeyKKJOYFSGPGSSLC-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.13
Rot. Bonds

About 1,3-benzothiazole;4-methyl-1H-quinolin-2-one

1,3-benzothiazole;4-methyl-1H-quinolin-2-one (PubChem CID 159160128) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1,3-benzothiazole;4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name1,3-benzothiazole;4-methyl-1H-quinolin-2-one
PubChem CID159160128
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1,3-benzothiazole;4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccccc12.c1ccc2scnc2c1
InChIInChI=1S/C10H9NO.C7H5NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7/h2-6H,1H3,(H,11,12);1-5H
InChIKeyKKJOYFSGPGSSLC-UHFFFAOYSA-N
XLogP4.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
CID 131664049
CID 131664049
1,3-benzothiazole;thiohydroxylamine
CID 174771488
1,3-benzothiazole;formamide
CID 160548939
1,3-benzothiazole;sulfuric acid
CID 174851582
1,3-benzothiazole;sulfurous acid;hydrate
CID 70542963
tricalcium;1,3-benzothiazole;diphosphate
CID 175746475
1,3-benzothiazole;2-methylprop-2-enoic acid
CID 174918318
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 42618037

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;4-methyl-1H-quinolin-2-one?
The IUPAC name of 1,3-benzothiazole;4-methyl-1H-quinolin-2-one (CID 159160128) is 1,3-benzothiazole;4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 1,3-benzothiazole;4-methyl-1H-quinolin-2-one?
The canonical SMILES for 1,3-benzothiazole;4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccccc12.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;4-methyl-1H-quinolin-2-one?
The InChIKey is KKJOYFSGPGSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C7H5NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7/h2-6H,1H3,(H,11,12);1-5H.
What are the key properties of 1,3-benzothiazole;4-methyl-1H-quinolin-2-one?
1,3-benzothiazole;4-methyl-1H-quinolin-2-one has a molecular weight of 294.38 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 159160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).