N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide

C18H15FN4O4 — CID 7910774

IUPACN'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H15FN4O4/c19-12-5-7-13(8-6-12)27-10-17(25)22-21-16(24)9-23-11-20-15-4-2-1-3-14(15)18(23)26/h1-8,11H,9-10H2,(H,21,24)(H,22,25)
InChIKeyMLNUEWMBIPSGBY-UHFFFAOYSA-N
MW370.34 g/mol
LogP0.76
Rot. Bonds5

About N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide (PubChem CID 7910774) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
PubChem CID7910774
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H15FN4O4/c19-12-5-7-13(8-6-12)27-10-17(25)22-21-16(24)9-23-11-20-15-4-2-1-3-14(15)18(23)26/h1-8,11H,9-10H2,(H,21,24)(H,22,25)
InChIKeyMLNUEWMBIPSGBY-UHFFFAOYSA-N
XLogP0.76
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 50.76
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

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9468840
1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9479013
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
CID 7742280
N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 48872680
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide (CID 7910774) is N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide?
The InChIKey is MLNUEWMBIPSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-12-5-7-13(8-6-12)27-10-17(25)22-21-16(24)9-23-11-20-15-4-2-1-3-14(15)18(23)26/h1-8,11H,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide has a molecular weight of 370.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 7910774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).