acetic acid;1H-quinazoline-2,4-dione

C10H10N2O4 — CID 67165558

IUPACacetic acid;1H-quinazoline-2,4-dione
SMILESCC(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1
InChIInChI=1S/C8H6N2O2.C2H4O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;1-2(3)4/h1-4H,(H2,9,10,11,12);1H3,(H,3,4)
InChIKeyAOUDKENFHQXBSB-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.31
Rot. Bonds

About acetic acid;1H-quinazoline-2,4-dione

acetic acid;1H-quinazoline-2,4-dione (PubChem CID 67165558) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is acetic acid;1H-quinazoline-2,4-dione.

Molecular Properties

Compound Nameacetic acid;1H-quinazoline-2,4-dione
PubChem CID67165558
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameacetic acid;1H-quinazoline-2,4-dione
SMILESCC(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1
InChIInChI=1S/C8H6N2O2.C2H4O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;1-2(3)4/h1-4H,(H2,9,10,11,12);1H3,(H,3,4)
InChIKeyAOUDKENFHQXBSB-UHFFFAOYSA-N
XLogP0.31
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
9H-carbazole;carbonic acid
CID 67577328
7-phenyl-1H-quinazoline-2,4-dione
CID 118641028
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
9H-carbazole;propanoic acid
CID 68841226
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
1,3-dihydrobenzimidazol-2-one;3-oxobutanamide
CID 159803991
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
CID 22766912
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347

Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-quinazoline-2,4-dione?
The IUPAC name of acetic acid;1H-quinazoline-2,4-dione (CID 67165558) is acetic acid;1H-quinazoline-2,4-dione.
What is the SMILES notation for acetic acid;1H-quinazoline-2,4-dione?
The canonical SMILES for acetic acid;1H-quinazoline-2,4-dione is CC(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1.
What is the InChIKey of acetic acid;1H-quinazoline-2,4-dione?
The InChIKey is AOUDKENFHQXBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C2H4O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;1-2(3)4/h1-4H,(H2,9,10,11,12);1H3,(H,3,4).
What are the key properties of acetic acid;1H-quinazoline-2,4-dione?
acetic acid;1H-quinazoline-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-quinazoline-2,4-dione is sourced from PubChem (CID 67165558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).