3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide

C14H12N4O3 — CID 63578986

IUPAC3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H12N4O3/c15-17-14(20)13-9(5-6-21-13)8-18-11-4-2-1-3-10(11)16-7-12(18)19/h1-7H,8,15H2,(H,17,20)
InChIKeyLZKYIZMDIVHNJM-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.64
Rot. Bonds3

About 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide

3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578986) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63578986
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H12N4O3/c15-17-14(20)13-9(5-6-21-13)8-18-11-4-2-1-3-10(11)16-7-12(18)19/h1-7H,8,15H2,(H,17,20)
InChIKeyLZKYIZMDIVHNJM-UHFFFAOYSA-N
XLogP0.64
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63579588
3-(indol-1-ylmethyl)furan-2-carbohydrazide
CID 63579906
methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate
CID 71995596
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
CID 62893313
1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one
CID 43509212
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
CID 80724661
3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951
1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
CID 72923084
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide (CID 63578986) is 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is LZKYIZMDIVHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-17-14(20)13-9(5-6-21-13)8-18-11-4-2-1-3-10(11)16-7-12(18)19/h1-7H,8,15H2,(H,17,20).
What are the key properties of 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide?
3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 284.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).