7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine

C15H15N3O2S — CID 106925505

IUPAC7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSc1ncco1
InChIInChI=1S/C15H15N3O2S/c1-16-14-11(9-21-15-17-5-6-20-15)7-10-3-4-12(19-2)8-13(10)18-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyUAWSAVFLLDOIBO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.57
Rot. Bonds5

About 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine

7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 106925505) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID106925505
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSc1ncco1
InChIInChI=1S/C15H15N3O2S/c1-16-14-11(9-21-15-17-5-6-20-15)7-10-3-4-12(19-2)8-13(10)18-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyUAWSAVFLLDOIBO-UHFFFAOYSA-N
XLogP3.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925507
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
CID 62193406
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
CID 62188180
7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
CID 62255462
1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927297
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480
7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188750

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine (CID 106925505) is 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine is CNc1nc2cc(OC)ccc2cc1CSc1ncco1.
What is the InChIKey of 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is UAWSAVFLLDOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-16-14-11(9-21-15-17-5-6-20-15)7-10-3-4-12(19-2)8-13(10)18-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine?
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 106925505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).