N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine

C16H16N2OS — CID 107783184

IUPACN-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccoc1C
InChIInChI=1S/C16H16N2OS/c1-11-15(7-8-19-11)20-16-13(10-17-2)9-12-5-3-4-6-14(12)18-16/h3-9,17H,10H2,1-2H3
InChIKeyHROBDSGMFMFFSF-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.01
Rot. Bonds4

About N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine

N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine (PubChem CID 107783184) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
PubChem CID107783184
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccoc1C
InChIInChI=1S/C16H16N2OS/c1-11-15(7-8-19-11)20-16-13(10-17-2)9-12-5-3-4-6-14(12)18-16/h3-9,17H,10H2,1-2H3
InChIKeyHROBDSGMFMFFSF-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
CID 107783659
1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
CID 63807648
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 107783257
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
CID 63809114
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926902
[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926972
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 63809665
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 63836117
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine (CID 107783184) is N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine is CNCc1cc2ccccc2nc1Sc1ccoc1C.
What is the InChIKey of N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is HROBDSGMFMFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-15(7-8-19-11)20-16-13(10-17-2)9-12-5-3-4-6-14(12)18-16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine?
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 107783184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).