N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine

C15H18N2OS — CID 81231155

IUPACN-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)C1CSCCO1
InChIInChI=1S/C15H18N2OS/c1-16-15(14-10-19-8-7-18-14)12-5-4-11-3-2-6-17-13(11)9-12/h2-6,9,14-16H,7-8,10H2,1H3
InChIKeyFWNVGEFNXKWYAU-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.63
Rot. Bonds3

About N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine

N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine (PubChem CID 81231155) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
PubChem CID81231155
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)C1CSCCO1
InChIInChI=1S/C15H18N2OS/c1-16-15(14-10-19-8-7-18-14)12-5-4-11-3-2-6-17-13(11)9-12/h2-6,9,14-16H,7-8,10H2,1H3
InChIKeyFWNVGEFNXKWYAU-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine with MolForge

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Related Compounds

6-Fluoro-4-(3-methoxypiperidin-4-yl)quinoline
CID 138687746
N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine
CID 71851070
N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215964
N-methyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215967
N-ethyl-1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215988
1-Quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215989
N-methyl-1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215991
4-Fluoro-5-methoxy-4-quinolin-7-ylpentan-1-amine
CID 103392569
1-Quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475056
3-(2-Fluoro-2-quinolin-5-ylpropyl)morpholine
CID 116011346
3-(2-Fluoro-2-methyl-3-quinolin-4-ylpropyl)morpholine
CID 116011358
3-(2-Fluoro-2-quinolin-7-ylpropyl)morpholine
CID 116011361

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine?
The IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine (CID 81231155) is N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine.
What is the SMILES notation for N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine?
The canonical SMILES for N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine is CNC(c1ccc2cccnc2c1)C1CSCCO1.
What is the InChIKey of N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine?
The InChIKey is FWNVGEFNXKWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-15(14-10-19-8-7-18-14)12-5-4-11-3-2-6-17-13(11)9-12/h2-6,9,14-16H,7-8,10H2,1H3.
What are the key properties of N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine?
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 81231155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).