7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine

C16H15N3OS — CID 62188750

IUPAC7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CSc3ccccn3)c(N)nc2c1
InChIInChI=1S/C16H15N3OS/c1-20-13-6-5-11-8-12(16(17)19-14(11)9-13)10-21-15-4-2-3-7-18-15/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyCQRHEFBXPHYZSI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.51
Rot. Bonds4

About 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine

7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 62188750) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID62188750
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CSc3ccccn3)c(N)nc2c1
InChIInChI=1S/C16H15N3OS/c1-20-13-6-5-11-8-12(16(17)19-14(11)9-13)10-21-15-4-2-3-7-18-15/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyCQRHEFBXPHYZSI-UHFFFAOYSA-N
XLogP3.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-(thiophen-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189597
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
CID 62255462
2-[[4-methoxy-2-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]propanedinitrile
CID 873338
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
3-(3-methoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 41299285
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
CID 62177692
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine (CID 62188750) is 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine is COc1ccc2cc(CSc3ccccn3)c(N)nc2c1.
What is the InChIKey of 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is CQRHEFBXPHYZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-13-6-5-11-8-12(16(17)19-14(11)9-13)10-21-15-4-2-3-7-18-15/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62188750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).