methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate

C23H23N5O2 — CID 70664837

IUPACmethyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnn(-c4ccccc4)c3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C23H23N5O2/c1-15(2)27(3)22-21(17-13-24-28(14-17)18-8-6-5-7-9-18)25-19-11-10-16(23(29)30-4)12-20(19)26-22/h5-15H,1-4H3
InChIKeyJQWREQZADNOSST-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.11
Rot. Bonds5

About methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate

methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate (PubChem CID 70664837) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
PubChem CID70664837
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Namemethyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnn(-c4ccccc4)c3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C23H23N5O2/c1-15(2)27(3)22-21(17-13-24-28(14-17)18-8-6-5-7-9-18)25-19-11-10-16(23(29)30-4)12-20(19)26-22/h5-15H,1-4H3
InChIKeyJQWREQZADNOSST-UHFFFAOYSA-N
XLogP4.11
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-acetamidophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 70665292
2-(2-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 50991308
methyl phenazine-2-carboxylate
CID 617185
propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661315
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-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid
CID 50991210
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
propan-2-yl 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661268

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate (CID 70664837) is methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3cnn(-c4ccccc4)c3)c(N(C)C(C)C)nc2c1.
What is the InChIKey of methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate?
The InChIKey is JQWREQZADNOSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(2)27(3)22-21(17-13-24-28(14-17)18-8-6-5-7-9-18)25-19-11-10-16(23(29)30-4)12-20(19)26-22/h5-15H,1-4H3.
What are the key properties of methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate?
methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 70664837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).