N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide

C11H11N3O3 — CID 136608254

IUPACN-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)[nH]c(NC(C)=O)nc12
InChIInChI=1S/C11H11N3O3/c1-6(15)12-11-13-9-7(10(16)14-11)4-3-5-8(9)17-2/h3-5H,1-2H3,(H2,12,13,14,15,16)
InChIKeyMTFCGWZYQXTIND-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.89
Rot. Bonds2

About N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide

N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide (PubChem CID 136608254) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
PubChem CID136608254
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)[nH]c(NC(C)=O)nc12
InChIInChI=1S/C11H11N3O3/c1-6(15)12-11-13-9-7(10(16)14-11)4-3-5-8(9)17-2/h3-5H,1-2H3,(H2,12,13,14,15,16)
InChIKeyMTFCGWZYQXTIND-UHFFFAOYSA-N
XLogP0.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide?
The IUPAC name of N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide (CID 136608254) is N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide?
The canonical SMILES for N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide is COc1cccc2c(=O)[nH]c(NC(C)=O)nc12.
What is the InChIKey of N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide?
The InChIKey is MTFCGWZYQXTIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(15)12-11-13-9-7(10(16)14-11)4-3-5-8(9)17-2/h3-5H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide?
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide is sourced from PubChem (CID 136608254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).