N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide

C21H22ClN3O2 — CID 55897423

IUPACN-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)CCCOc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C21H22ClN3O2/c1-14-15(2)24-20-12-16(8-9-19(20)23-14)21(26)25(3)10-5-11-27-18-7-4-6-17(22)13-18/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyBYKAJBXUNVGTQZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.44
Rot. Bonds6

About N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide

N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide (PubChem CID 55897423) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
PubChem CID55897423
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)CCCOc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C21H22ClN3O2/c1-14-15(2)24-20-12-16(8-9-19(20)23-14)21(26)25(3)10-5-11-27-18-7-4-6-17(22)13-18/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyBYKAJBXUNVGTQZ-UHFFFAOYSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[3-(3-chlorophenoxy)propyl]-N,4-dimethyl-3-nitrobenzamide
CID 55898199
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 71853795
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55919012

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide (CID 55897423) is N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)N(C)CCCOc3cccc(Cl)c3)cc2nc1C.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The InChIKey is BYKAJBXUNVGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14-15(2)24-20-12-16(8-9-19(20)23-14)21(26)25(3)10-5-11-27-18-7-4-6-17(22)13-18/h4,6-9,12-13H,5,10-11H2,1-3H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55897423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).