methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

C24H23N5O4 — CID 70664658

IUPACmethyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc4nccnc4cc3C(=O)OC)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C24H23N5O4/c1-13(2)29(3)22-21(27-17-7-6-14(23(30)32-4)10-20(17)28-22)15-11-18-19(26-9-8-25-18)12-16(15)24(31)33-5/h6-13H,1-5H3
InChIKeyBGUIVCFOLYZGJS-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (PubChem CID 70664658) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
PubChem CID70664658
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Namemethyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc4nccnc4cc3C(=O)OC)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C24H23N5O4/c1-13(2)29(3)22-21(27-17-7-6-14(23(30)32-4)10-20(17)28-22)15-11-18-19(26-9-8-25-18)12-16(15)24(31)33-5/h6-13H,1-5H3
InChIKeyBGUIVCFOLYZGJS-UHFFFAOYSA-N
XLogP3.66
TPSA107.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoxaline-6-carboxylate
CID 70665079
methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
CID 70664837
2-(2-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 50991308
sodium;methane;(2-methoxyphenyl)boronic acid;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 161392371
(3-fluorophenyl)boronic acid;methyl 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;methyl 2-(3-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 158870063
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661315
propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661268
2-(4-acetamidophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 70665292
methyl phenazine-2-carboxylate
CID 617185

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (CID 70664658) is methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3cc4nccnc4cc3C(=O)OC)c(N(C)C(C)C)nc2c1.
What is the InChIKey of methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The InChIKey is BGUIVCFOLYZGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-13(2)29(3)22-21(27-17-7-6-14(23(30)32-4)10-20(17)28-22)15-11-18-19(26-9-8-25-18)12-16(15)24(31)33-5/h6-13H,1-5H3.
What are the key properties of methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxycarbonylquinoxalin-6-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 70664658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).