N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide

C11H12N4O2 — CID 137153669

IUPACN-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide
SMILESCNc1cc2nc[nH]c(=O)c2cc1NC(C)=O
InChIInChI=1S/C11H12N4O2/c1-6(16)15-10-3-7-8(4-9(10)12-2)13-5-14-11(7)17/h3-5,12H,1-2H3,(H,15,16)(H,13,14,17)
InChIKeySPMYSNJQNNKUGD-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.92
Rot. Bonds2

About N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide

N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide (PubChem CID 137153669) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide
PubChem CID137153669
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide
SMILESCNc1cc2nc[nH]c(=O)c2cc1NC(C)=O
InChIInChI=1S/C11H12N4O2/c1-6(16)15-10-3-7-8(4-9(10)12-2)13-5-14-11(7)17/h3-5,12H,1-2H3,(H,15,16)(H,13,14,17)
InChIKeySPMYSNJQNNKUGD-UHFFFAOYSA-N
XLogP0.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide?
The IUPAC name of N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide (CID 137153669) is N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide?
The canonical SMILES for N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide is CNc1cc2nc[nH]c(=O)c2cc1NC(C)=O.
What is the InChIKey of N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide?
The InChIKey is SPMYSNJQNNKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6(16)15-10-3-7-8(4-9(10)12-2)13-5-14-11(7)17/h3-5,12H,1-2H3,(H,15,16)(H,13,14,17).
What are the key properties of N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide?
N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide is sourced from PubChem (CID 137153669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).