N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide

C25H22N4O3 — CID 118731259

IUPACN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyQXSVPZNMSDJBDC-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.76
Rot. Bonds5

About N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide

N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide (PubChem CID 118731259) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide
PubChem CID118731259
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyQXSVPZNMSDJBDC-UHFFFAOYSA-N
XLogP2.76
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Benzyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 164615411
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide
CID 164618552
N-(2-aminophenyl)-4-[2-(benzylamino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24752951
N-[3-(4-Methyl-piperazine-1-carbonyl)-phenyl]-2-(6-oxo-3-p-tolyl-6H-pyridazin-1-yl)-acetamide
CID 652437
N-(2-{4-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)acetamide
CID 16016353
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 118731260
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-bromobenzohydrazide
CID 118731261
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide
CID 118731262
N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
CID 118731266
N-[6-(2-aminoanilino)-6-oxohexyl]-3,5-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 155521965
1-[2-(3-Benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione
CID 164615195
1-[[2-(3-Benzyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylthiourea
CID 164615673

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide (CID 118731259) is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide?
The InChIKey is QXSVPZNMSDJBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide?
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide has a molecular weight of 426.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 118731259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).