N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine

C17H19N3S — CID 107357477

IUPACN-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2n1)c1ccsc1C
InChIInChI=1S/C17H19N3S/c1-3-9-18-17(13-8-10-21-12(13)2)16-11-19-14-6-4-5-7-15(14)20-16/h4-8,10-11,17-18H,3,9H2,1-2H3
InChIKeyUEVYQZDIBUQLPP-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.09
Rot. Bonds5

About N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine

N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine (PubChem CID 107357477) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
PubChem CID107357477
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2n1)c1ccsc1C
InChIInChI=1S/C17H19N3S/c1-3-9-18-17(13-8-10-21-12(13)2)16-11-19-14-6-4-5-7-15(14)20-16/h4-8,10-11,17-18H,3,9H2,1-2H3
InChIKeyUEVYQZDIBUQLPP-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 102832783
N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 102840891
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833386
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
CID 102832467
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine (CID 107357477) is N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccccc2n1)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The InChIKey is UEVYQZDIBUQLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-9-18-17(13-8-10-21-12(13)2)16-11-19-14-6-4-5-7-15(14)20-16/h4-8,10-11,17-18H,3,9H2,1-2H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 107357477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).