2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide

C26H19N3O2 — CID 14894058

IUPAC2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1nc(-c2cccc3ccccc23)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C26H19N3O2/c30-24(27-19-11-2-1-3-12-19)17-31-26-22-14-6-7-16-23(22)28-25(29-26)21-15-8-10-18-9-4-5-13-20(18)21/h1-16H,17H2,(H,27,30)
InChIKeyMZXUZUFITOSMIM-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.47
Rot. Bonds5

About 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide

2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide (PubChem CID 14894058) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide
PubChem CID14894058
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1nc(-c2cccc3ccccc23)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C26H19N3O2/c30-24(27-19-11-2-1-3-12-19)17-31-26-22-14-6-7-16-23(22)28-25(29-26)21-15-8-10-18-9-4-5-13-20(18)21/h1-16H,17H2,(H,27,30)
InChIKeyMZXUZUFITOSMIM-UHFFFAOYSA-N
XLogP5.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide (CID 14894058) is 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide is O=C(COc1nc(-c2cccc3ccccc23)nc2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide?
The InChIKey is MZXUZUFITOSMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-24(27-19-11-2-1-3-12-19)17-31-26-22-14-6-7-16-23(22)28-25(29-26)21-15-8-10-18-9-4-5-13-20(18)21/h1-16H,17H2,(H,27,30).
What are the key properties of 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide?
2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide has a molecular weight of 405.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylquinazolin-4-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 14894058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).