2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide

C17H13FN4O3 — CID 4827693

IUPAC2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN4O3/c18-13-7-3-1-5-11(13)16(24)21-20-15(23)9-22-10-19-14-8-4-2-6-12(14)17(22)25/h1-8,10H,9H2,(H,20,23)(H,21,24)
InChIKeyINZZXQWQTGQBSS-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide

2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide (PubChem CID 4827693) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
PubChem CID4827693
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN4O3/c18-13-7-3-1-5-11(13)16(24)21-20-15(23)9-22-10-19-14-8-4-2-6-12(14)17(22)25/h1-8,10H,9H2,(H,20,23)(H,21,24)
InChIKeyINZZXQWQTGQBSS-UHFFFAOYSA-N
XLogP1.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.00
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

1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9468840
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 24540532
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542
2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
CID 7742280

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide (CID 4827693) is 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide is O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The InChIKey is INZZXQWQTGQBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-13-7-3-1-5-11(13)16(24)21-20-15(23)9-22-10-19-14-8-4-2-6-12(14)17(22)25/h1-8,10H,9H2,(H,20,23)(H,21,24).
What are the key properties of 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide has a molecular weight of 340.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 4827693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).