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

C21H23N3O2 — CID 46324586

IUPACN-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)23-20(25)9-10-24-19-12-15(3)14(2)11-18(19)22-16(4)21(24)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)
InChIKeyGMTYUIVGVPBOPC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.66
Rot. Bonds4

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

N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324586) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324586
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)23-20(25)9-10-24-19-12-15(3)14(2)11-18(19)22-16(4)21(24)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)
InChIKeyGMTYUIVGVPBOPC-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
CID 46324529
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
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-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 50781098
N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869657
N-[(1S)-1-thiophen-2-ylbutyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869655
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249288

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324586) is N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is GMTYUIVGVPBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)23-20(25)9-10-24-19-12-15(3)14(2)11-18(19)22-16(4)21(24)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).