propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate

C21H23N3O3 — CID 50765326

IUPACpropan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
SMILESCOc1cccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-12(2)27-21(25)19-20(22-15-7-6-8-16(11-15)26-5)24-18-10-14(4)13(3)9-17(18)23-19/h6-12H,1-5H3,(H,22,24)
InChIKeyBBIXWTBZOLCCJH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.56
Rot. Bonds5

About propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate

propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate (PubChem CID 50765326) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
PubChem CID50765326
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namepropan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
SMILESCOc1cccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-12(2)27-21(25)19-20(22-15-7-6-8-16(11-15)26-5)24-18-10-14(4)13(3)9-17(18)23-19/h6-12H,1-5H3,(H,22,24)
InChIKeyBBIXWTBZOLCCJH-UHFFFAOYSA-N
XLogP4.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 6,7-dimethyl-3-(3-methylanilino)quinoxaline-2-carboxylate
CID 50765319
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
CID 50765149
butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
CID 50765138
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685
propan-2-yl 5-[(3-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27167428
methyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate
CID 23964279
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
propan-2-yl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7274771
(2S)-2-chloro-1-[4-(3-methoxyanilino)quinazolin-6-yl]propan-1-one
CID 169450910
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The IUPAC name of propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate (CID 50765326) is propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate is COc1cccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The InChIKey is BBIXWTBZOLCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12(2)27-21(25)19-20(22-15-7-6-8-16(11-15)26-5)24-18-10-14(4)13(3)9-17(18)23-19/h6-12H,1-5H3,(H,22,24).
What are the key properties of propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate?
propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 50765326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).