N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C22H23ClN4O2 — CID 108542124

IUPACN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNC(=O)CCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C22H23ClN4O2/c1-14-15(2)27-20-13-17(6-9-19(20)26-14)22(29)25-12-11-24-21(28)10-5-16-3-7-18(23)8-4-16/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRZEXWGQIIIIZNK-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 108542124) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID108542124
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNC(=O)CCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C22H23ClN4O2/c1-14-15(2)27-20-13-17(6-9-19(20)26-14)22(29)25-12-11-24-21(28)10-5-16-3-7-18(23)8-4-16/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRZEXWGQIIIIZNK-UHFFFAOYSA-N
XLogP3.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108541227
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540157
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-pyrrol-1-ylbenzamide
CID 108542293
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7716680
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 108542124) is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCNC(=O)CCc3ccc(Cl)cc3)cc2nc1C.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is RZEXWGQIIIIZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-15(2)27-20-13-17(6-9-19(20)26-14)22(29)25-12-11-24-21(28)10-5-16-3-7-18(23)8-4-16/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 108542124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).