N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide

C19H14N4OS — CID 11393847

IUPACN-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)
InChIKeyIHJROTPCROQIGM-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.19
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide (PubChem CID 11393847) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide
PubChem CID11393847
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)
InChIKeyIHJROTPCROQIGM-UHFFFAOYSA-N
XLogP4.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide (CID 11393847) is N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide?
The InChIKey is IHJROTPCROQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 11393847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).