N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C18H16FN3O2 — CID 46583999

IUPACN-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C18H16FN3O2/c1-2-12-4-3-5-14(8-12)21-17(23)10-22-11-20-16-7-6-13(19)9-15(16)18(22)24/h3-9,11H,2,10H2,1H3,(H,21,23)
InChIKeyVZCDMUZXEFFYLS-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.74
Rot. Bonds4

About N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46583999) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID46583999
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C18H16FN3O2/c1-2-12-4-3-5-14(8-12)21-17(23)10-22-11-20-16-7-6-13(19)9-15(16)18(22)24/h3-9,11H,2,10H2,1H3,(H,21,23)
InChIKeyVZCDMUZXEFFYLS-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 46583999) is N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VZCDMUZXEFFYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-12-4-3-5-14(8-12)21-17(23)10-22-11-20-16-7-6-13(19)9-15(16)18(22)24/h3-9,11H,2,10H2,1H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46583999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).