7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine

C14H14N4O2S — CID 62255462

IUPAC7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
SMILESCOc1ccc2cc(CSc3nnc(C)o3)c(N)nc2c1
InChIInChI=1S/C14H14N4O2S/c1-8-17-18-14(20-8)21-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)15/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyUEUDMFOKLWZCLR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.81
Rot. Bonds4

About 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine

7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine (PubChem CID 62255462) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
PubChem CID62255462
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
SMILESCOc1ccc2cc(CSc3nnc(C)o3)c(N)nc2c1
InChIInChI=1S/C14H14N4O2S/c1-8-17-18-14(20-8)21-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)15/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyUEUDMFOKLWZCLR-UHFFFAOYSA-N
XLogP2.81
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189597
7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188750
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
CID 62177692
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209410
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 55021251

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine?
The IUPAC name of 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine (CID 62255462) is 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine is COc1ccc2cc(CSc3nnc(C)o3)c(N)nc2c1.
What is the InChIKey of 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine?
The InChIKey is UEUDMFOKLWZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-17-18-14(20-8)21-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)15/h3-6H,7H2,1-2H3,(H2,15,16).
What are the key properties of 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine?
7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine has a molecular weight of 302.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine is sourced from PubChem (CID 62255462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).