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

C16H12N2O6 — CID 160781113

IUPACphthalic acid;1H-quinazoline-2,4-dione
SMILESO=C(O)c1ccccc1C(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1
InChIInChI=1S/C8H6N2O2.C8H6O4/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10,11,12);1-4H,(H,9,10)(H,11,12)
InChIKeySAOWLBHJBRNYQY-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.30
Rot. Bonds2

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

phthalic acid;1H-quinazoline-2,4-dione (PubChem CID 160781113) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is phthalic acid;1H-quinazoline-2,4-dione.

Molecular Properties

Compound Namephthalic acid;1H-quinazoline-2,4-dione
PubChem CID160781113
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Namephthalic acid;1H-quinazoline-2,4-dione
SMILESO=C(O)c1ccccc1C(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1
InChIInChI=1S/C8H6N2O2.C8H6O4/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10,11,12);1-4H,(H,9,10)(H,11,12)
InChIKeySAOWLBHJBRNYQY-UHFFFAOYSA-N
XLogP1.30
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;1H-quinazoline-2,4-dione
CID 67165558
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
9H-carbazole;carbonic acid
CID 67577328
phthalic acid;hydrobromide
CID 71236392
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
7-phenyl-1H-quinazoline-2,4-dione
CID 118641028
benzoic acid;9H-carbazole
CID 162147282
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266

Frequently Asked Questions

What is the IUPAC name of phthalic acid;1H-quinazoline-2,4-dione?
The IUPAC name of phthalic acid;1H-quinazoline-2,4-dione (CID 160781113) is phthalic acid;1H-quinazoline-2,4-dione.
What is the SMILES notation for phthalic acid;1H-quinazoline-2,4-dione?
The canonical SMILES for phthalic acid;1H-quinazoline-2,4-dione is O=C(O)c1ccccc1C(=O)O.O=c1[nH]c(=O)c2ccccc2[nH]1.
What is the InChIKey of phthalic acid;1H-quinazoline-2,4-dione?
The InChIKey is SAOWLBHJBRNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C8H6O4/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10,11,12);1-4H,(H,9,10)(H,11,12).
What are the key properties of phthalic acid;1H-quinazoline-2,4-dione?
phthalic acid;1H-quinazoline-2,4-dione has a molecular weight of 328.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalic acid;1H-quinazoline-2,4-dione is sourced from PubChem (CID 160781113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).