N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide

C18H16N4O3 — CID 46212861

IUPACN'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
SMILESCc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H16N4O3/c1-12-18(25)22(15-10-6-5-9-14(15)19-12)11-16(23)20-21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHNGJPASPWGWNQH-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.17
Rot. Bonds3

About N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide

N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide (PubChem CID 46212861) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
PubChem CID46212861
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide
SMILESCc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H16N4O3/c1-12-18(25)22(15-10-6-5-9-14(15)19-12)11-16(23)20-21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHNGJPASPWGWNQH-UHFFFAOYSA-N
XLogP1.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide (CID 46212861) is N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide is Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O.
What is the InChIKey of N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
The InChIKey is HNGJPASPWGWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-18(25)22(15-10-6-5-9-14(15)19-12)11-16(23)20-21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide?
N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide has a molecular weight of 336.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46212861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).