N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

C19H12ClN3O2S — CID 53377411

IUPACN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-11-7-8-12(15(10-11)23-18(24)16-6-3-9-26-16)17-19(25)22-14-5-2-1-4-13(14)21-17/h1-10H,(H,22,25)(H,23,24)
InChIKeyOQVDVROJIIHDBB-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.56
Rot. Bonds3

About N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 53377411) has the molecular formula C19H12ClN3O2S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID53377411
Molecular FormulaC19H12ClN3O2S
Molecular Weight381.84 g/mol
Exact Mass381.03
IUPAC NameN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-11-7-8-12(15(10-11)23-18(24)16-6-3-9-26-16)17-19(25)22-14-5-2-1-4-13(14)21-17/h1-10H,(H,22,25)(H,23,24)
InChIKeyOQVDVROJIIHDBB-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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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 53377411) is N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is OQVDVROJIIHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2S/c20-11-7-8-12(15(10-11)23-18(24)16-6-3-9-26-16)17-19(25)22-14-5-2-1-4-13(14)21-17/h1-10H,(H,22,25)(H,23,24).
What are the key properties of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[5-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-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53377411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).