N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide

C15H17N3O3 — CID 5064245

IUPACN-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCC1CCCO1
InChIInChI=1S/C15H17N3O3/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,19)
InChIKeyWSDBQRBPVHCKRH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.30
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide

N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 5064245) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide
PubChem CID5064245
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCC1CCCO1
InChIInChI=1S/C15H17N3O3/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,19)
InChIKeyWSDBQRBPVHCKRH-UHFFFAOYSA-N
XLogP1.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide (CID 5064245) is N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide is O=C(COc1ncnc2ccccc12)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is WSDBQRBPVHCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide?
N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 287.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 5064245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).