N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

C19H11F2N3O2S — CID 53377431

IUPACN-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H11F2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26)
InChIKeyCRDHNAPEYHMGPZ-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.18
Rot. Bonds3

About N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 53377431) has the molecular formula C19H11F2N3O2S and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID53377431
Molecular FormulaC19H11F2N3O2S
Molecular Weight383.38 g/mol
Exact Mass383.05
IUPAC NameN-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H11F2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26)
InChIKeyCRDHNAPEYHMGPZ-UHFFFAOYSA-N
XLogP4.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tifluadom
CID 115208
N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CID 53377448
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide
CID 10926896
Tifluadom, (S)-
CID 13367230
N-[2-[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-3-carboxamide
CID 44349947
N-[2-[(2S)-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-3-carboxamide
CID 71456174
N-[2-[(2R)-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-3-carboxamide
CID 73349647
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
1,3-Dihydro-5-(2-fluorophenyl)-3-(RS)-(3-thiophene carbonylamino)-2H-1,4-benzodiazepin-2-one
CID 14208217
Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-amide
CID 15167799
N-[2-amino-5-(2-thienyl)phenyl]benzamide
CID 44454144

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 53377431) is N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is CRDHNAPEYHMGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26).
What are the key properties of N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53377431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).