N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide

C15H19N3O2 — CID 4875945

IUPACN-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide
SMILESCC(C)C(C)NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)11(3)18-14(19)8-20-15-12-6-4-5-7-13(12)16-9-17-15/h4-7,9-11H,8H2,1-3H3,(H,18,19)
InChIKeySTOPRDPQXHWEMR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds5

About N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide

N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide (PubChem CID 4875945) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide
PubChem CID4875945
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide
SMILESCC(C)C(C)NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)11(3)18-14(19)8-20-15-12-6-4-5-7-13(12)16-9-17-15/h4-7,9-11H,8H2,1-3H3,(H,18,19)
InChIKeySTOPRDPQXHWEMR-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide (CID 4875945) is N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide is CC(C)C(C)NC(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is STOPRDPQXHWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)11(3)18-14(19)8-20-15-12-6-4-5-7-13(12)16-9-17-15/h4-7,9-11H,8H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide?
N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 4875945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).