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

C9H12N2O2 — CID 602016

IUPAC5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCCc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyGQUGJQZKZSSVSS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.50
Rot. Bonds

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

5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 602016) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID602016
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCCc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyGQUGJQZKZSSVSS-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 602016) is 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is CC1CCCc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is GQUGJQZKZSSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 602016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).