2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine

C20H17N3OS — CID 20827871

IUPAC2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine
SMILESCOc1ccc2cccc(Nc3cccc4cc(SC)cnc34)c2n1
InChIInChI=1S/C20H17N3OS/c1-24-18-10-9-13-5-3-8-17(20(13)23-18)22-16-7-4-6-14-11-15(25-2)12-21-19(14)16/h3-12,22H,1-2H3
InChIKeyXXQKPCZSFNWBSM-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.26
Rot. Bonds4

About 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine

2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine (PubChem CID 20827871) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine.

Molecular Properties

Compound Name2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine
PubChem CID20827871
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine
SMILESCOc1ccc2cccc(Nc3cccc4cc(SC)cnc34)c2n1
InChIInChI=1S/C20H17N3OS/c1-24-18-10-9-13-5-3-8-17(20(13)23-18)22-16-7-4-6-14-11-15(25-2)12-21-19(14)16/h3-12,22H,1-2H3
InChIKeyXXQKPCZSFNWBSM-UHFFFAOYSA-N
XLogP5.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyquinoline-8-thiol
CID 25146782
tris(2-methoxyquinoline-8-thiolate);rhodium(3+)
CID 25146781
3-N-(2-methylquinolin-8-yl)pyridine-2,3-diamine
CID 104540323
2-methoxy-N,N-dimethylquinolin-8-amine
CID 137448906
3-bromo-N-phenylquinolin-8-amine
CID 86754991
N-(2-methoxyquinolin-8-yl)heptanamide
CID 141137919
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
CID 80912895
8-fluoro-N-(6-methoxy-3-pyridinyl)quinolin-2-amine
CID 139422667
2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine
CID 62953097
methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168563000
2-(2-methoxyquinolin-8-yl)ethanamine
CID 135380052
N-methoxyquinolin-8-amine
CID 143696561

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine?
The IUPAC name of 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine (CID 20827871) is 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine.
What is the SMILES notation for 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine?
The canonical SMILES for 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine is COc1ccc2cccc(Nc3cccc4cc(SC)cnc34)c2n1.
What is the InChIKey of 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine?
The InChIKey is XXQKPCZSFNWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-18-10-9-13-5-3-8-17(20(13)23-18)22-16-7-4-6-14-11-15(25-2)12-21-19(14)16/h3-12,22H,1-2H3.
What are the key properties of 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine?
2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine has a molecular weight of 347.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine is sourced from PubChem (CID 20827871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).