N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide

C29H22N4O2 — CID 5261928

IUPACN'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C29H22N4O2/c1-19-12-14-22(15-13-19)28(34)32-33-29(35)23-16-17-24-25(18-23)31-27(21-10-6-3-7-11-21)26(30-24)20-8-4-2-5-9-20/h2-18H,1H3,(H,32,34)(H,33,35)
InChIKeyANEXJFHZLZVVBO-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.35
Rot. Bonds4

About N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide

N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide (PubChem CID 5261928) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
PubChem CID5261928
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC NameN'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C29H22N4O2/c1-19-12-14-22(15-13-19)28(34)32-33-29(35)23-16-17-24-25(18-23)31-27(21-10-6-3-7-11-21)26(30-24)20-8-4-2-5-9-20/h2-18H,1H3,(H,32,34)(H,33,35)
InChIKeyANEXJFHZLZVVBO-UHFFFAOYSA-N
XLogP5.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
CID 4171467
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334
N-(4,5-dimethyl-2-nitrophenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 5262009

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide (CID 5261928) is N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide?
The InChIKey is ANEXJFHZLZVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-19-12-14-22(15-13-19)28(34)32-33-29(35)23-16-17-24-25(18-23)31-27(21-10-6-3-7-11-21)26(30-24)20-8-4-2-5-9-20/h2-18H,1H3,(H,32,34)(H,33,35).
What are the key properties of N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide?
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide has a molecular weight of 458.52 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide is sourced from PubChem (CID 5261928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).