N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

C14H11N3OS — CID 736232

IUPACN-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nccnc2c1
InChIInChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
InChIKeyZZCPENMOMKGBMP-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.62
Rot. Bonds3

About N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 736232) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID736232
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nccnc2c1
InChIInChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
InChIKeyZZCPENMOMKGBMP-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (CID 736232) is N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is O=C(NCc1cccs1)c1ccc2nccnc2c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is ZZCPENMOMKGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18).
What are the key properties of N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 736232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).