4-ethyl-7,8-dihydro-6H-quinazolin-5-one

C10H12N2O — CID 122697023

IUPAC4-ethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ncnc2c1C(=O)CCC2
InChIInChI=1S/C10H12N2O/c1-2-7-10-8(12-6-11-7)4-3-5-9(10)13/h6H,2-5H2,1H3
InChIKeyKKLGNQQSGKJURZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds1

About 4-ethyl-7,8-dihydro-6H-quinazolin-5-one

4-ethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 122697023) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-ethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-ethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID122697023
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-ethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ncnc2c1C(=O)CCC2
InChIInChI=1S/C10H12N2O/c1-2-7-10-8(12-6-11-7)4-3-5-9(10)13/h6H,2-5H2,1H3
InChIKeyKKLGNQQSGKJURZ-UHFFFAOYSA-N
XLogP1.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-ethyl-7,8-dihydro-6H-quinazolin-5-one (CID 122697023) is 4-ethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-ethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-ethyl-7,8-dihydro-6H-quinazolin-5-one is CCc1ncnc2c1C(=O)CCC2.
What is the InChIKey of 4-ethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is KKLGNQQSGKJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-10-8(12-6-11-7)4-3-5-9(10)13/h6H,2-5H2,1H3.
What are the key properties of 4-ethyl-7,8-dihydro-6H-quinazolin-5-one?
4-ethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 176.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 122697023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).