N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H20FN3O3 — CID 42572072

IUPACN-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3/c21-15-7-9-16(10-8-15)27-12-4-3-11-22-19(25)13-24-14-23-18-6-2-1-5-17(18)20(24)26/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeyVATXQNJPOVICAD-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.51
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 42572072) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID42572072
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3/c21-15-7-9-16(10-8-15)27-12-4-3-11-22-19(25)13-24-14-23-18-6-2-1-5-17(18)20(24)26/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeyVATXQNJPOVICAD-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17410333
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 42572072) is N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VATXQNJPOVICAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-7-9-16(10-8-15)27-12-4-3-11-22-19(25)13-24-14-23-18-6-2-1-5-17(18)20(24)26/h1-2,5-10,14H,3-4,11-13H2,(H,22,25).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 42572072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).