4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide

C25H30N4O3 — CID 15990181

IUPAC4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C25H30N4O3/c1-25(2,3)17-10-8-16(9-11-17)22(30)26-18-14-20-21(15-19(18)29-12-6-7-13-29)28(5)24(32)23(31)27(20)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyHUWGGKLIZMUAFQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.39
Rot. Bonds3

About 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide

4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide (PubChem CID 15990181) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
PubChem CID15990181
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C25H30N4O3/c1-25(2,3)17-10-8-16(9-11-17)22(30)26-18-14-20-21(15-19(18)29-12-6-7-13-29)28(5)24(32)23(31)27(20)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyHUWGGKLIZMUAFQ-UHFFFAOYSA-N
XLogP3.39
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.39
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

N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
CID 25023852
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218563
N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CID 56965342
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25010550
N-(2-aminophenyl)-4-(1-{[4-(dimethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023857
N-(2-aminophenyl)-4-(1-{[4-(methylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023859
(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one
CID 133053976
3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
CID 2444963
4-Methyl-N-[3-(2-piperidin-1-yl-acetylamino)-phenyl]-benzamide
CID 6486838
4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N-hydroxybenzamide
CID 16661455
N-(2-aminophenyl)-4-[2-(benzylamino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24752951
Biphenyl-4-carboxylic acid [4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-amide
CID 44388227

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide (CID 15990181) is 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide?
The InChIKey is HUWGGKLIZMUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-25(2,3)17-10-8-16(9-11-17)22(30)26-18-14-20-21(15-19(18)29-12-6-7-13-29)28(5)24(32)23(31)27(20)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30).
What are the key properties of 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide?
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide is sourced from PubChem (CID 15990181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).