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

C19H12FN3O2S — CID 53377442

IUPACN-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12FN3O2S/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)
InChIKeyNJOKVPWLLKQMQX-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.04
Rot. Bonds3

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

N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 53377442) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID53377442
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC NameN-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12FN3O2S/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)
InChIKeyNJOKVPWLLKQMQX-UHFFFAOYSA-N
XLogP4.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 53377442) is N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is NJOKVPWLLKQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/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-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53377442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).