methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate

C23H22N4O4 — CID 53194377

IUPACmethyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)c1
InChIInChI=1S/C23H22N4O4/c1-14(2)13-26-18-9-4-5-10-19(18)27-20(22(26)29)12-17(25-27)21(28)24-16-8-6-7-15(11-16)23(30)31-3/h4-12,14H,13H2,1-3H3,(H,24,28)
InChIKeyUDDNVVSCMHYCAX-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.34
Rot. Bonds5

About methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate

methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate (PubChem CID 53194377) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
PubChem CID53194377
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Namemethyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)c1
InChIInChI=1S/C23H22N4O4/c1-14(2)13-26-18-9-4-5-10-19(18)27-20(22(26)29)12-17(25-27)21(28)24-16-8-6-7-15(11-16)23(30)31-3/h4-12,14H,13H2,1-3H3,(H,24,28)
InChIKeyUDDNVVSCMHYCAX-UHFFFAOYSA-N
XLogP3.34
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194364
N,5-bis(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194389
5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194396
methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
CID 110681637
N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194302
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
CID 110650614
methyl 3-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
CID 167400639
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate (CID 53194377) is methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)c1.
What is the InChIKey of methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate?
The InChIKey is UDDNVVSCMHYCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14(2)13-26-18-9-4-5-10-19(18)27-20(22(26)29)12-17(25-27)21(28)24-16-8-6-7-15(11-16)23(30)31-3/h4-12,14H,13H2,1-3H3,(H,24,28).
What are the key properties of methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate?
methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate has a molecular weight of 418.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate is sourced from PubChem (CID 53194377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).