4,5-dimethylquinazoline-2,6-dione

C10H8N2O2 — CID 19957210

IUPAC4,5-dimethylquinazoline-2,6-dione
SMILESCC1=NC(=O)N=C2C=CC(=O)C(C)=C12
InChIInChI=1S/C10H8N2O2/c1-5-8(13)4-3-7-9(5)6(2)11-10(14)12-7/h3-4H,1-2H3
InChIKeyQQMANFRURAKMRJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.48
Rot. Bonds

About 4,5-dimethylquinazoline-2,6-dione

4,5-dimethylquinazoline-2,6-dione (PubChem CID 19957210) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4,5-dimethylquinazoline-2,6-dione.

Molecular Properties

Compound Name4,5-dimethylquinazoline-2,6-dione
PubChem CID19957210
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4,5-dimethylquinazoline-2,6-dione
SMILESCC1=NC(=O)N=C2C=CC(=O)C(C)=C12
InChIInChI=1S/C10H8N2O2/c1-5-8(13)4-3-7-9(5)6(2)11-10(14)12-7/h3-4H,1-2H3
InChIKeyQQMANFRURAKMRJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-3,5-dimethyl-4-benzoquinone imine
CID 126483
N-(3-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 18338381
N-acetyl-2-methyl-1,4-benzoquinone monoimine
CID 129742316
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129756862
N-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-urea
CID 129756935
N-(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129757220
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129757285
N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-urea
CID 129757340
3,6-Dihydroquinoline-2,5-dione
CID 21616870
5-Methyl-4-prop-2-enoylbenzimidazol-2-one
CID 129140262
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 129144655
(E)-[(E)-4-methyl-3-oxohex-4-en-2-ylidene]urea
CID 141038526

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylquinazoline-2,6-dione?
The IUPAC name of 4,5-dimethylquinazoline-2,6-dione (CID 19957210) is 4,5-dimethylquinazoline-2,6-dione.
What is the SMILES notation for 4,5-dimethylquinazoline-2,6-dione?
The canonical SMILES for 4,5-dimethylquinazoline-2,6-dione is CC1=NC(=O)N=C2C=CC(=O)C(C)=C12.
What is the InChIKey of 4,5-dimethylquinazoline-2,6-dione?
The InChIKey is QQMANFRURAKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-5-8(13)4-3-7-9(5)6(2)11-10(14)12-7/h3-4H,1-2H3.
What are the key properties of 4,5-dimethylquinazoline-2,6-dione?
4,5-dimethylquinazoline-2,6-dione has a molecular weight of 188.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylquinazoline-2,6-dione is sourced from PubChem (CID 19957210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).