N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide

C14H14N4O3 — CID 2630701

IUPACN-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
SMILESC=CCNC(=O)NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C14H14N4O3/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20)
InChIKeyVXXDQOGXSNIHIB-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.02
Rot. Bonds5

About N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide

N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 2630701) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
PubChem CID2630701
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
SMILESC=CCNC(=O)NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C14H14N4O3/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20)
InChIKeyVXXDQOGXSNIHIB-UHFFFAOYSA-N
XLogP1.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 54908616
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7540380
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2079481

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide (CID 2630701) is N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide is C=CCNC(=O)NC(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is VXXDQOGXSNIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20).
What are the key properties of N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide?
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 286.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2630701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).