N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide

C17H15FN4O2 — CID 150829256

IUPACN'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
SMILESCc1cccc2c(=O)n(CC(=O)NNc3ccccc3F)cnc12
InChIInChI=1S/C17H15FN4O2/c1-11-5-4-6-12-16(11)19-10-22(17(12)24)9-15(23)21-20-14-8-3-2-7-13(14)18/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyKLPHSSQTYXIHHN-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.99
Rot. Bonds4

About N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide

N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide (PubChem CID 150829256) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
PubChem CID150829256
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
SMILESCc1cccc2c(=O)n(CC(=O)NNc3ccccc3F)cnc12
InChIInChI=1S/C17H15FN4O2/c1-11-5-4-6-12-16(11)19-10-22(17(12)24)9-15(23)21-20-14-8-3-2-7-13(14)18/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyKLPHSSQTYXIHHN-UHFFFAOYSA-N
XLogP1.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.99
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

N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 86940680
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27021791
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide?
The IUPAC name of N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide (CID 150829256) is N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide is Cc1cccc2c(=O)n(CC(=O)NNc3ccccc3F)cnc12.
What is the InChIKey of N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide?
The InChIKey is KLPHSSQTYXIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-5-4-6-12-16(11)19-10-22(17(12)24)9-15(23)21-20-14-8-3-2-7-13(14)18/h2-8,10,20H,9H2,1H3,(H,21,23).
What are the key properties of N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide?
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide has a molecular weight of 326.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 150829256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).