7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

C9H12N2O2 — CID 596865

IUPAC7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N2O2/c1-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyFVUOSAWYPYXYAV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.19
Rot. Bonds

About 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 596865) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID596865
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N2O2/c1-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyFVUOSAWYPYXYAV-UHFFFAOYSA-N
XLogP0.19
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 596865) is 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is CC1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is FVUOSAWYPYXYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 596865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).