2,2-diethyl-1,3-dihydroquinazolin-4-one

C12H16N2O — CID 12925301

IUPAC2,2-diethyl-1,3-dihydroquinazolin-4-one
SMILESCCC1(CC)NC(=O)c2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-3-12(4-2)13-10-8-6-5-7-9(10)11(15)14-12/h5-8,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyMPPQVKBWWYRGDM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.36
Rot. Bonds2

About 2,2-diethyl-1,3-dihydroquinazolin-4-one

2,2-diethyl-1,3-dihydroquinazolin-4-one (PubChem CID 12925301) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2-diethyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2,2-diethyl-1,3-dihydroquinazolin-4-one
PubChem CID12925301
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,2-diethyl-1,3-dihydroquinazolin-4-one
SMILESCCC1(CC)NC(=O)c2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-3-12(4-2)13-10-8-6-5-7-9(10)11(15)14-12/h5-8,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyMPPQVKBWWYRGDM-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-1,3-dihydroquinazolin-4-one 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 2,2-diethyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2,2-diethyl-1,3-dihydroquinazolin-4-one (CID 12925301) is 2,2-diethyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2,2-diethyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2,2-diethyl-1,3-dihydroquinazolin-4-one is CCC1(CC)NC(=O)c2ccccc2N1.
What is the InChIKey of 2,2-diethyl-1,3-dihydroquinazolin-4-one?
The InChIKey is MPPQVKBWWYRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-12(4-2)13-10-8-6-5-7-9(10)11(15)14-12/h5-8,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2,2-diethyl-1,3-dihydroquinazolin-4-one?
2,2-diethyl-1,3-dihydroquinazolin-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 12925301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).