N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

C19H13N3O2S — CID 71779696

IUPACN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-18(16-9-4-10-25-16)20-13-6-3-5-12(11-13)17-19(24)22-15-8-2-1-7-14(15)21-17/h1-11H,(H,20,23)(H,22,24)
InChIKeyDHKYTRKSBHOYFC-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.90
Rot. Bonds3

About N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 71779696) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID71779696
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-18(16-9-4-10-25-16)20-13-6-3-5-12(11-13)17-19(24)22-15-8-2-1-7-14(15)21-17/h1-11H,(H,20,23)(H,22,24)
InChIKeyDHKYTRKSBHOYFC-UHFFFAOYSA-N
XLogP3.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 71779696) is N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1)c1cccs1.
What is the InChIKey of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is DHKYTRKSBHOYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18(16-9-4-10-25-16)20-13-6-3-5-12(11-13)17-19(24)22-15-8-2-1-7-14(15)21-17/h1-11H,(H,20,23)(H,22,24).
What are the key properties of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71779696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).