acetamide;1H-quinazolin-2-one

C10H11N3O2 — CID 141293314

IUPACacetamide;1H-quinazolin-2-one
SMILESCC(N)=O.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C2H5NO/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2(3)4/h1-5H,(H,9,10,11);1H3,(H2,3,4)
InChIKeyOBKHYEQWCCKKIH-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.41
Rot. Bonds

About acetamide;1H-quinazolin-2-one

acetamide;1H-quinazolin-2-one (PubChem CID 141293314) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is acetamide;1H-quinazolin-2-one.

Molecular Properties

Compound Nameacetamide;1H-quinazolin-2-one
PubChem CID141293314
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameacetamide;1H-quinazolin-2-one
SMILESCC(N)=O.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C2H5NO/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2(3)4/h1-5H,(H,9,10,11);1H3,(H2,3,4)
InChIKeyOBKHYEQWCCKKIH-UHFFFAOYSA-N
XLogP0.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino carbamate;1H-quinazolin-2-one
CID 174813406
CID 69076940
CID 69076940
2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one
CID 174756775
2-oxo-1H-quinazoline-6-carboxylic acid
CID 141121485
acetic acid;1H-quinolin-2-one
CID 71436806
2-(2-oxo-1H-quinazolin-6-yl)acetic acid
CID 174608921
2-oxo-1H-quinazoline-5-carboxylic acid
CID 175870043
2-oxo-1H-quinazoline-6-carbaldehyde
CID 141113840
carbamic acid;1H-indol-2-ol
CID 175329326
potassium;hydride;hydron;1H-quinazoline-2-thione
CID 174528479
8-methoxy-1H-quinazolin-2-one
CID 53438636
1H-thieno[3,4-d]pyrimidin-2-one
CID 140997537

Frequently Asked Questions

What is the IUPAC name of acetamide;1H-quinazolin-2-one?
The IUPAC name of acetamide;1H-quinazolin-2-one (CID 141293314) is acetamide;1H-quinazolin-2-one.
What is the SMILES notation for acetamide;1H-quinazolin-2-one?
The canonical SMILES for acetamide;1H-quinazolin-2-one is CC(N)=O.O=c1ncc2ccccc2[nH]1.
What is the InChIKey of acetamide;1H-quinazolin-2-one?
The InChIKey is OBKHYEQWCCKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H5NO/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2(3)4/h1-5H,(H,9,10,11);1H3,(H2,3,4).
What are the key properties of acetamide;1H-quinazolin-2-one?
acetamide;1H-quinazolin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-quinazolin-2-one is sourced from PubChem (CID 141293314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).