N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide

C22H16FN3O2 — CID 2929675

IUPACN-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C22H16FN3O2/c1-14(27)24-15-7-6-8-16(13-15)28-22-18-10-3-5-12-20(18)25-21(26-22)17-9-2-4-11-19(17)23/h2-13H,1H3,(H,24,27)
InChIKeyXKZQWWDYHKPPOD-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.19
Rot. Bonds4

About N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide

N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide (PubChem CID 2929675) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
PubChem CID2929675
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C22H16FN3O2/c1-14(27)24-15-7-6-8-16(13-15)28-22-18-10-3-5-12-20(18)25-21(26-22)17-9-2-4-11-19(17)23/h2-13H,1H3,(H,24,27)
InChIKeyXKZQWWDYHKPPOD-UHFFFAOYSA-N
XLogP5.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide (CID 2929675) is N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1.
What is the InChIKey of N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide?
The InChIKey is XKZQWWDYHKPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14(27)24-15-7-6-8-16(13-15)28-22-18-10-3-5-12-20(18)25-21(26-22)17-9-2-4-11-19(17)23/h2-13H,1H3,(H,24,27).
What are the key properties of N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide?
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 2929675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).