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

C19H12ClN3O2S — CID 3163413

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25)
InChIKeyQSWYNUPJWYWAER-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.56
Rot. Bonds3

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

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 3163413) has the molecular formula C19H12ClN3O2S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID3163413
Molecular FormulaC19H12ClN3O2S
Molecular Weight381.84 g/mol
Exact Mass381.03
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25)
InChIKeyQSWYNUPJWYWAER-UHFFFAOYSA-N
XLogP4.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CID 53377448
N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide
CID 10645976
N-[2-[(2S)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
CID 15548355
N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
CID 73352661
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
CID 3162043
BG-Stk33-56
CID 53377411
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
CID 53377418
N-[5-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
CID 53377419
N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
CID 53377442
BG-Stk33-40
CID 53377430
N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
CID 53377431
N-[2-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
CID 53377455

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 3163413) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QSWYNUPJWYWAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3163413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).