propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

C24H25N3O3 — CID 70661268

IUPACpropan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2nc(-c3cc4ccccc4o3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-14(2)27(5)23-22(21-13-16-8-6-7-9-20(16)30-21)25-18-11-10-17(12-19(18)26-23)24(28)29-15(3)4/h6-15H,1-5H3
InChIKeyIGSCQKAISUSFER-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.45
Rot. Bonds5

About propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (PubChem CID 70661268) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
PubChem CID70661268
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namepropan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2nc(-c3cc4ccccc4o3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-14(2)27(5)23-22(21-13-16-8-6-7-9-20(16)30-21)25-18-11-10-17(12-19(18)26-23)24(28)29-15(3)4/h6-15H,1-5H3
InChIKeyIGSCQKAISUSFER-UHFFFAOYSA-N
XLogP5.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

S-(2,2-dimethylpropyl) 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbothioate
CID 88878920
S-(2,2-dimethylpropyl) 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbothioate
CID 88878937
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoxaline-6-carboxylate
CID 70665079
2-(2-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 50991308
sodium;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 158584817
methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70664658
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methanol;methyl 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 157267531
propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661315
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8628323
2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 86670556
2-(4-acetamidophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 70665292

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The IUPAC name of propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (CID 70661268) is propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is CC(C)OC(=O)c1ccc2nc(-c3cc4ccccc4o3)c(N(C)C(C)C)nc2c1.
What is the InChIKey of propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The InChIKey is IGSCQKAISUSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14(2)27(5)23-22(21-13-16-8-6-7-9-20(16)30-21)25-18-11-10-17(12-19(18)26-23)24(28)29-15(3)4/h6-15H,1-5H3.
What are the key properties of propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 70661268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).