N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

C22H25N3O2 — CID 46324557

IUPACN-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCCc1cccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c1
InChIInChI=1S/C22H25N3O2/c1-5-17-7-6-8-18(13-17)24-21(26)9-10-25-20-12-15(3)14(2)11-19(20)23-16(4)22(25)27/h6-8,11-13H,5,9-10H2,1-4H3,(H,24,26)
InChIKeyFXDKXEOSIKEHAA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.91
Rot. Bonds5

About N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324557) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324557
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCCc1cccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c1
InChIInChI=1S/C22H25N3O2/c1-5-17-7-6-8-18(13-17)24-21(26)9-10-25-20-12-15(3)14(2)11-19(20)23-16(4)22(25)27/h6-8,11-13H,5,9-10H2,1-4H3,(H,24,26)
InChIKeyFXDKXEOSIKEHAA-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
CID 46324529
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
N-[(1S)-1-thiophen-2-ylbutyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869655
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869657

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324557) is N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is CCc1cccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is FXDKXEOSIKEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-17-7-6-8-18(13-17)24-21(26)9-10-25-20-12-15(3)14(2)11-19(20)23-16(4)22(25)27/h6-8,11-13H,5,9-10H2,1-4H3,(H,24,26).
What are the key properties of N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).