2,2,5-trimethyl-1,3-dihydroquinazolin-4-one

C11H14N2O — CID 28819455

IUPAC2,2,5-trimethyl-1,3-dihydroquinazolin-4-one
SMILESCc1cccc2c1C(=O)NC(C)(C)N2
InChIInChI=1S/C11H14N2O/c1-7-5-4-6-8-9(7)10(14)13-11(2,3)12-8/h4-6,12H,1-3H3,(H,13,14)
InChIKeyVZOLAWDQFFKHKL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.89
Rot. Bonds

About 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one

2,2,5-trimethyl-1,3-dihydroquinazolin-4-one (PubChem CID 28819455) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2,2,5-trimethyl-1,3-dihydroquinazolin-4-one
PubChem CID28819455
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,2,5-trimethyl-1,3-dihydroquinazolin-4-one
SMILESCc1cccc2c1C(=O)NC(C)(C)N2
InChIInChI=1S/C11H14N2O/c1-7-5-4-6-8-9(7)10(14)13-11(2,3)12-8/h4-6,12H,1-3H3,(H,13,14)
InChIKeyVZOLAWDQFFKHKL-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one (CID 28819455) is 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one is Cc1cccc2c1C(=O)NC(C)(C)N2.
What is the InChIKey of 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one?
The InChIKey is VZOLAWDQFFKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-4-6-8-9(7)10(14)13-11(2,3)12-8/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one?
2,2,5-trimethyl-1,3-dihydroquinazolin-4-one has a molecular weight of 190.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 28819455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).