3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine

C14H13N3S — CID 36590033

IUPAC3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1cccs1
InChIInChI=1S/C14H13N3S/c1-10-14(15-9-11-5-4-8-18-11)17-13-7-3-2-6-12(13)16-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyOYAHWELTKYDNKD-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine

3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine (PubChem CID 36590033) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
PubChem CID36590033
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1cccs1
InChIInChI=1S/C14H13N3S/c1-10-14(15-9-11-5-4-8-18-11)17-13-7-3-2-6-12(13)16-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyOYAHWELTKYDNKD-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
2-methylpropyl 3-(thiophen-2-ylmethylamino)quinoxaline-2-carboxylate
CID 50765377
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
CID 106419114
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
4-chloro-2-methyl-6-(thiophen-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 80732585

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine (CID 36590033) is 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1cccs1.
What is the InChIKey of 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine?
The InChIKey is OYAHWELTKYDNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-14(15-9-11-5-4-8-18-11)17-13-7-3-2-6-12(13)16-10/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine?
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 36590033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).