3-tert-butyl-4aH-quinazoline-2,4-dione

C12H14N2O2 — CID 73083329

IUPAC3-tert-butyl-4aH-quinazoline-2,4-dione
SMILESCC(C)(C)N1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16/h4-8H,1-3H3
InChIKeyHLLANMFOQYDUKZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.93
Rot. Bonds

About 3-tert-butyl-4aH-quinazoline-2,4-dione

3-tert-butyl-4aH-quinazoline-2,4-dione (PubChem CID 73083329) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-tert-butyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-4aH-quinazoline-2,4-dione
PubChem CID73083329
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-tert-butyl-4aH-quinazoline-2,4-dione
SMILESCC(C)(C)N1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16/h4-8H,1-3H3
InChIKeyHLLANMFOQYDUKZ-UHFFFAOYSA-N
XLogP1.93
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-tert-butyl-4aH-quinazoline-2,4-dione (CID 73083329) is 3-tert-butyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-tert-butyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-tert-butyl-4aH-quinazoline-2,4-dione is CC(C)(C)N1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 3-tert-butyl-4aH-quinazoline-2,4-dione?
The InChIKey is HLLANMFOQYDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16/h4-8H,1-3H3.
What are the key properties of 3-tert-butyl-4aH-quinazoline-2,4-dione?
3-tert-butyl-4aH-quinazoline-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73083329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).