3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione

C10H12N2O2 — CID 123335704

IUPAC3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione
SMILESCC1C=c2c([nH]c(=O)n(C)c2=O)=CC1
InChIInChI=1S/C10H12N2O2/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeySQDFHPASXBDVFD-UHFFFAOYSA-N
MW192.22 g/mol
LogP-1.33
Rot. Bonds

About 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione

3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione (PubChem CID 123335704) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione
PubChem CID123335704
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione
SMILESCC1C=c2c([nH]c(=O)n(C)c2=O)=CC1
InChIInChI=1S/C10H12N2O2/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeySQDFHPASXBDVFD-UHFFFAOYSA-N
XLogP-1.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione?
The IUPAC name of 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione (CID 123335704) is 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione is CC1C=c2c([nH]c(=O)n(C)c2=O)=CC1.
What is the InChIKey of 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione?
The InChIKey is SQDFHPASXBDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h4-6H,3H2,1-2H3,(H,11,14).
What are the key properties of 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione?
3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione has a molecular weight of 192.22 g/mol, XLogP of -1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6,7-dihydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 123335704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).