3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one

C17H19N3O2S — CID 56718741

IUPAC3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one
SMILESCSc1ccc2cc(CN(C)C(C)c3ccon3)c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-11(15-6-7-22-19-15)20(2)10-13-8-12-4-5-14(23-3)9-16(12)18-17(13)21/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyPMHOWGNNWCRUPL-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.43
Rot. Bonds5

About 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one

3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one (PubChem CID 56718741) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one
PubChem CID56718741
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one
SMILESCSc1ccc2cc(CN(C)C(C)c3ccon3)c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-11(15-6-7-22-19-15)20(2)10-13-8-12-4-5-14(23-3)9-16(12)18-17(13)21/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyPMHOWGNNWCRUPL-UHFFFAOYSA-N
XLogP3.43
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56720422
6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
CID 56718220
7-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56711742
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one
CID 167942598
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 99958125
(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate
CID 46986497
7-methylsulfanyl-3-[[(4-propyl-1,2,4-triazol-3-yl)methylamino]methyl]-1H-quinolin-2-one
CID 131945914
methyl 1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 56719378
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
(1R)-N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42526060

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one?
The IUPAC name of 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one (CID 56718741) is 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one is CSc1ccc2cc(CN(C)C(C)c3ccon3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one?
The InChIKey is PMHOWGNNWCRUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(15-6-7-22-19-15)20(2)10-13-8-12-4-5-14(23-3)9-16(12)18-17(13)21/h4-9,11H,10H2,1-3H3,(H,18,21).
What are the key properties of 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one?
3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one has a molecular weight of 329.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one is sourced from PubChem (CID 56718741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).