3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide

C24H27N3O4 — CID 50793159

IUPAC3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide
SMILESCn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)CCC3CCCC3)cc21
InChIInChI=1S/C24H27N3O4/c1-26-19-14-18(25-22(28)13-12-16-8-6-7-9-16)21(31-17-10-4-3-5-11-17)15-20(19)27(2)24(30)23(26)29/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3,(H,25,28)
InChIKeyMVSHJUXSJQPOIP-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.94
Rot. Bonds6

About 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide

3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide (PubChem CID 50793159) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide
PubChem CID50793159
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide
SMILESCn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)CCC3CCCC3)cc21
InChIInChI=1S/C24H27N3O4/c1-26-19-14-18(25-22(28)13-12-16-8-6-7-9-16)21(31-17-10-4-3-5-11-17)15-20(19)27(2)24(30)23(26)29/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3,(H,25,28)
InChIKeyMVSHJUXSJQPOIP-UHFFFAOYSA-N
XLogP3.94
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
CID 50793143
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
CID 109032793
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide (CID 50793159) is 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide is Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)CCC3CCCC3)cc21.
What is the InChIKey of 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide?
The InChIKey is MVSHJUXSJQPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-26-19-14-18(25-22(28)13-12-16-8-6-7-9-16)21(31-17-10-4-3-5-11-17)15-20(19)27(2)24(30)23(26)29/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3,(H,25,28).
What are the key properties of 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide?
3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide is sourced from PubChem (CID 50793159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).