N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide

C14H20ClN3O3S — CID 122146797

IUPACN-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCN(C)c2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O3S/c1-4-22(20,21)17(3)10-14(19)18-8-7-16(2)12-6-5-11(15)9-13(12)18/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyQBVCBNKRXSHIKA-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide

N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide (PubChem CID 122146797) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide
PubChem CID122146797
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCN(C)c2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O3S/c1-4-22(20,21)17(3)10-14(19)18-8-7-16(2)12-6-5-11(15)9-13(12)18/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyQBVCBNKRXSHIKA-UHFFFAOYSA-N
XLogP1.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide?
The IUPAC name of N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide (CID 122146797) is N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC(=O)N1CCN(C)c2ccc(Cl)cc21.
What is the InChIKey of N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide?
The InChIKey is QBVCBNKRXSHIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-4-22(20,21)17(3)10-14(19)18-8-7-16(2)12-6-5-11(15)9-13(12)18/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide?
N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide has a molecular weight of 345.85 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 122146797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).