4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide

C28H22N4O4 — CID 26636107

IUPAC4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H22N4O4/c33-26(17-32-25-8-4-3-7-24(25)29-16-27(32)34)30-31-28(35)21-11-9-19(10-12-21)18-36-23-14-13-20-5-1-2-6-22(20)15-23/h1-16H,17-18H2,(H,30,33)(H,31,35)
InChIKeyTXZRCFWBKSNMFS-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.59
Rot. Bonds6

About 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide

4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide (PubChem CID 26636107) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
PubChem CID26636107
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC Name4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H22N4O4/c33-26(17-32-25-8-4-3-7-24(25)29-16-27(32)34)30-31-28(35)21-11-9-19(10-12-21)18-36-23-14-13-20-5-1-2-6-22(20)15-23/h1-16H,17-18H2,(H,30,33)(H,31,35)
InChIKeyTXZRCFWBKSNMFS-UHFFFAOYSA-N
XLogP3.59
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
CID 26262559
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
N'-[2-(2-oxoquinoxalin-1-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31363693
2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 18284100
1-benzyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]thiourea
CID 18271624
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 32735745
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide (CID 26636107) is 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide is O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The InChIKey is TXZRCFWBKSNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c33-26(17-32-25-8-4-3-7-24(25)29-16-27(32)34)30-31-28(35)21-11-9-19(10-12-21)18-36-23-14-13-20-5-1-2-6-22(20)15-23/h1-16H,17-18H2,(H,30,33)(H,31,35).
What are the key properties of 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide has a molecular weight of 478.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yloxymethyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 26636107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).