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

C9H12N2O2 — CID 13357775

IUPAC3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H2,1H3,(H,10,13)
InChIKeyXYBDLFWBVZYBMT-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.05
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 13357775) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID13357775
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H2,1H3,(H,10,13)
InChIKeyXYBDLFWBVZYBMT-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 13357775) is 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is XYBDLFWBVZYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H2,1H3,(H,10,13).
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 13357775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).