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

C12H18N2O2 — CID 601634

IUPAC8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCC(C(C)C)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)10-9(8)11(15)14-12(16)13-10/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyMEACWJLYROPUHX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.70
Rot. Bonds1

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

8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 601634) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID601634
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCC(C(C)C)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)10-9(8)11(15)14-12(16)13-10/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyMEACWJLYROPUHX-UHFFFAOYSA-N
XLogP1.70
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 601634) is 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is CC1CCC(C(C)C)c2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is MEACWJLYROPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)10-9(8)11(15)14-12(16)13-10/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 601634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).