methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate

C18H15N3O3 — CID 110861762

IUPACmethyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H15N3O3/c1-11-16(21-15-6-4-3-5-14(15)19-11)17(22)20-13-9-7-12(8-10-13)18(23)24-2/h3-10H,1-2H3,(H,20,22)
InChIKeyPWMGJYDXRLQSCA-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.98
Rot. Bonds3

About methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate

methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate (PubChem CID 110861762) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
PubChem CID110861762
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H15N3O3/c1-11-16(21-15-6-4-3-5-14(15)19-11)17(22)20-13-9-7-12(8-10-13)18(23)24-2/h3-10H,1-2H3,(H,20,22)
InChIKeyPWMGJYDXRLQSCA-UHFFFAOYSA-N
XLogP2.98
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
CID 1330020

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate (CID 110861762) is methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2C)cc1.
What is the InChIKey of methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate?
The InChIKey is PWMGJYDXRLQSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-16(21-15-6-4-3-5-14(15)19-11)17(22)20-13-9-7-12(8-10-13)18(23)24-2/h3-10H,1-2H3,(H,20,22).
What are the key properties of methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate?
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate has a molecular weight of 321.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110861762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).