methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate

C17H15N3O2 — CID 913036

IUPACmethyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1
InChIInChI=1S/C17H15N3O2/c1-11-16(20-15-9-4-3-8-14(15)18-11)19-13-7-5-6-12(10-13)17(21)22-2/h3-10H,1-2H3,(H,19,20)
InChIKeyGYACLAKONSJCGM-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.47
Rot. Bonds3

About methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate

methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate (PubChem CID 913036) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate
PubChem CID913036
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namemethyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1
InChIInChI=1S/C17H15N3O2/c1-11-16(20-15-9-4-3-8-14(15)18-11)19-13-7-5-6-12(10-13)17(21)22-2/h3-10H,1-2H3,(H,19,20)
InChIKeyGYACLAKONSJCGM-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate?
The IUPAC name of methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate (CID 913036) is methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate is COC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1.
What is the InChIKey of methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate?
The InChIKey is GYACLAKONSJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-16(20-15-9-4-3-8-14(15)18-11)19-13-7-5-6-12(10-13)17(21)22-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate?
methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate has a molecular weight of 293.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methylquinoxalin-2-yl)amino]benzoate is sourced from PubChem (CID 913036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).