N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide

C18H16ClN3O2 — CID 53299187

IUPACN-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-2-5-16(23)20-13-7-4-3-6-12(13)17-18(24)22-14-9-8-11(19)10-15(14)21-17/h3-4,6-10H,2,5H2,1H3,(H,20,23)(H,22,24)
InChIKeyNUWAZRHPDXLFAN-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide

N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide (PubChem CID 53299187) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
PubChem CID53299187
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-2-5-16(23)20-13-7-4-3-6-12(13)17-18(24)22-14-9-8-11(19)10-15(14)21-17/h3-4,6-10H,2,5H2,1H3,(H,20,23)(H,22,24)
InChIKeyNUWAZRHPDXLFAN-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide?
The IUPAC name of N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide (CID 53299187) is N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide?
The InChIKey is NUWAZRHPDXLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-5-16(23)20-13-7-4-3-6-12(13)17-18(24)22-14-9-8-11(19)10-15(14)21-17/h3-4,6-10H,2,5H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide?
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide has a molecular weight of 341.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide is sourced from PubChem (CID 53299187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).