N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

C22H25N3O2 — CID 46324526

IUPACN-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-13-6-7-18(16(4)10-13)24-21(26)8-9-25-20-12-15(3)14(2)11-19(20)23-17(5)22(25)27/h6-7,10-12H,8-9H2,1-5H3,(H,24,26)
InChIKeyBUHANFSAKBLEKI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324526) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324526
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-13-6-7-18(16(4)10-13)24-21(26)8-9-25-20-12-15(3)14(2)11-19(20)23-17(5)22(25)27/h6-7,10-12H,8-9H2,1-5H3,(H,24,26)
InChIKeyBUHANFSAKBLEKI-UHFFFAOYSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
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
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 861961
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
CID 46324529
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 50781098
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324568
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324526) is N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is BUHANFSAKBLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-6-7-18(16(4)10-13)24-21(26)8-9-25-20-12-15(3)14(2)11-19(20)23-17(5)22(25)27/h6-7,10-12H,8-9H2,1-5H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).