1,2,2-triethyl-3H-quinazolin-4-one

C14H20N2O — CID 126962530

IUPAC1,2,2-triethyl-3H-quinazolin-4-one
SMILESCCN1c2ccccc2C(=O)NC1(CC)CC
InChIInChI=1S/C14H20N2O/c1-4-14(5-2)15-13(17)11-9-7-8-10-12(11)16(14)6-3/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyLJNXCPUQNFOSKG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds3

About 1,2,2-triethyl-3H-quinazolin-4-one

1,2,2-triethyl-3H-quinazolin-4-one (PubChem CID 126962530) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,2,2-triethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name1,2,2-triethyl-3H-quinazolin-4-one
PubChem CID126962530
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,2,2-triethyl-3H-quinazolin-4-one
SMILESCCN1c2ccccc2C(=O)NC1(CC)CC
InChIInChI=1S/C14H20N2O/c1-4-14(5-2)15-13(17)11-9-7-8-10-12(11)16(14)6-3/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyLJNXCPUQNFOSKG-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-triethyl-3H-quinazolin-4-one?
The IUPAC name of 1,2,2-triethyl-3H-quinazolin-4-one (CID 126962530) is 1,2,2-triethyl-3H-quinazolin-4-one.
What is the SMILES notation for 1,2,2-triethyl-3H-quinazolin-4-one?
The canonical SMILES for 1,2,2-triethyl-3H-quinazolin-4-one is CCN1c2ccccc2C(=O)NC1(CC)CC.
What is the InChIKey of 1,2,2-triethyl-3H-quinazolin-4-one?
The InChIKey is LJNXCPUQNFOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-14(5-2)15-13(17)11-9-7-8-10-12(11)16(14)6-3/h7-10H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 1,2,2-triethyl-3H-quinazolin-4-one?
1,2,2-triethyl-3H-quinazolin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triethyl-3H-quinazolin-4-one is sourced from PubChem (CID 126962530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).