methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate

C27H19N5O3 — CID 1330020

IUPACmethyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C27H19N5O3/c1-35-27(34)17-8-11-19(12-9-17)30-26(33)18-10-13-20-23(16-18)32-25(22-7-3-5-15-29-22)24(31-20)21-6-2-4-14-28-21/h2-16H,1H3,(H,30,33)
InChIKeyZJELOVSHFWXJQL-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.79
Rot. Bonds5

About methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate

methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate (PubChem CID 1330020) has the molecular formula C27H19N5O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
PubChem CID1330020
Molecular FormulaC27H19N5O3
Molecular Weight461.48 g/mol
Exact Mass461.15
IUPAC Namemethyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C27H19N5O3/c1-35-27(34)17-8-11-19(12-9-17)30-26(33)18-10-13-20-23(16-18)32-25(22-7-3-5-15-29-22)24(31-20)21-6-2-4-14-28-21/h2-16H,1H3,(H,30,33)
InChIKeyZJELOVSHFWXJQL-UHFFFAOYSA-N
XLogP4.79
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
(2,3-dipyridin-2-ylquinoxalin-6-yl)-phenylmethanone
CID 54672430
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
O-[4-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamoyl]phenyl] morpholine-4-carbothioate
CID 126337347
methyl phenazine-2-carboxylate
CID 617185
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate (CID 1330020) is methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1.
What is the InChIKey of methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate?
The InChIKey is ZJELOVSHFWXJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O3/c1-35-27(34)17-8-11-19(12-9-17)30-26(33)18-10-13-20-23(16-18)32-25(22-7-3-5-15-29-22)24(31-20)21-6-2-4-14-28-21/h2-16H,1H3,(H,30,33).
What are the key properties of methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate?
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate has a molecular weight of 461.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate is sourced from PubChem (CID 1330020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).