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

C18H16ClN3O2 — CID 3163404

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-10(2)17(23)21-13-8-7-11(19)9-12(13)16-18(24)22-15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeySBIXOSOJKFGATH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.84
Rot. Bonds3

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

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 3163404) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide
PubChem CID3163404
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-10(2)17(23)21-13-8-7-11(19)9-12(13)16-18(24)22-15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeySBIXOSOJKFGATH-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide (CID 3163404) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is SBIXOSOJKFGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10(2)17(23)21-13-8-7-11(19)9-12(13)16-18(24)22-15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 341.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 3163404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).