2-ethyl-3H-quinazolin-4-one

C10H10N2O — CID 135444528

IUPAC2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyLUANCFNZZLKBOQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.49
Rot. Bonds1

About 2-ethyl-3H-quinazolin-4-one

2-ethyl-3H-quinazolin-4-one (PubChem CID 135444528) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3H-quinazolin-4-one
PubChem CID135444528
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyLUANCFNZZLKBOQ-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-quinazolin-4-one?
The IUPAC name of 2-ethyl-3H-quinazolin-4-one (CID 135444528) is 2-ethyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-3H-quinazolin-4-one is CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-3H-quinazolin-4-one?
The InChIKey is LUANCFNZZLKBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-3H-quinazolin-4-one?
2-ethyl-3H-quinazolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-quinazolin-4-one is sourced from PubChem (CID 135444528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).