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

C19H13N3O2S — CID 3162043

IUPACN-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-18(16-10-5-11-25-16)21-13-7-2-1-6-12(13)17-19(24)22-15-9-4-3-8-14(15)20-17/h1-11H,(H,21,23)(H,22,24)
InChIKeyQSVBKTQBVIMRBD-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.90
Rot. Bonds3

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

N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 3162043) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID3162043
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H13N3O2S/c23-18(16-10-5-11-25-16)21-13-7-2-1-6-12(13)17-19(24)22-15-9-4-3-8-14(15)20-17/h1-11H,(H,21,23)(H,22,24)
InChIKeyQSVBKTQBVIMRBD-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

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Related Compounds

CID 53377448
CID 53377448
CID 6918878
CID 6918878
CID 10430432
CID 10430432
CID 135414635
CID 135414635
CID 10926896
CID 10926896
CID 15548354
CID 15548354
CID 715970
CID 715970
CID 3162290
CID 3162290
CID 3746437
CID 3746437
CID 15167799
CID 15167799
CID 44454144
CID 44454144
CID 62706004
CID 62706004

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 3162043) is N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QSVBKTQBVIMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18(16-10-5-11-25-16)21-13-7-2-1-6-12(13)17-19(24)22-15-9-4-3-8-14(15)20-17/h1-11H,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-(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-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3162043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).