4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C17H18N2O2S — CID 727693

IUPAC4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1
InChIInChI=1S/C17H18N2O2S/c1-10-7-17(22-9-15-11(2)19-21-12(15)3)18-16-8-13(20-4)5-6-14(10)16/h5-8H,9H2,1-4H3
InChIKeyYEBZZBFCHJNCKE-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.45
Rot. Bonds4

About 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 727693) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID727693
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1
InChIInChI=1S/C17H18N2O2S/c1-10-7-17(22-9-15-11(2)19-21-12(15)3)18-16-8-13(20-4)5-6-14(10)16/h5-8H,9H2,1-4H3
InChIKeyYEBZZBFCHJNCKE-UHFFFAOYSA-N
XLogP4.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
CID 675343
2-(7-Methoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648080
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2083100
1-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 2096854
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 71570810
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-3-ylprop-2-en-1-one
CID 71570954
[(7-Methoxy-4-methylquinolin-2-yl)sulfanyl]acetonitrile
CID 1628135
2-[(7-Methoxy-4-phenylquinolin-2-yl)sulfanyl]propanamide
CID 4571607
2-{[(3,5-Dimethylisoxazol-4-yl)methyl]thio}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1281369
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 2081497

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 727693) is 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1.
What is the InChIKey of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YEBZZBFCHJNCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-7-17(22-9-15-11(2)19-21-12(15)3)18-16-8-13(20-4)5-6-14(10)16/h5-8H,9H2,1-4H3.
What are the key properties of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 314.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).