N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide

C18H16FN3O2 — CID 2104149

IUPACN-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-7-5-13(6-8-14)9-10-20-17(23)11-24-18-15-3-1-2-4-16(15)21-12-22-18/h1-8,12H,9-11H2,(H,20,23)
InChIKeyPBCSUFCMKZQQDO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide

N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide (PubChem CID 2104149) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
PubChem CID2104149
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-7-5-13(6-8-14)9-10-20-17(23)11-24-18-15-3-1-2-4-16(15)21-12-22-18/h1-8,12H,9-11H2,(H,20,23)
InChIKeyPBCSUFCMKZQQDO-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fenazaquin
CID 86356
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11155432
N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11189610
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3d)
CID 118796624
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488
4-(Cyclohexyloxy)quinazoline
CID 44591868
1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3e)
CID 118796625
N-cyclopentyl-2-quinazolin-4-yloxyacetamide
CID 2371118
N-(4-acetamidophenyl)-2-quinazolin-4-yloxyacetamide
CID 2379207
1-(4-Methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 2383474

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide (CID 2104149) is N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide is O=C(COc1ncnc2ccccc12)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is PBCSUFCMKZQQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-7-5-13(6-8-14)9-10-20-17(23)11-24-18-15-3-1-2-4-16(15)21-12-22-18/h1-8,12H,9-11H2,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 325.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2104149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).