7-ethyl-4,8-dihydro-3H-quinazolin-2-one

C10H12N2O — CID 163534285

IUPAC7-ethyl-4,8-dihydro-3H-quinazolin-2-one
SMILESCCC1=CC=C2CNC(=O)N=C2C1
InChIInChI=1S/C10H12N2O/c1-2-7-3-4-8-6-11-10(13)12-9(8)5-7/h3-4H,2,5-6H2,1H3,(H,11,13)
InChIKeyDVQBDEZNEJLSKP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.82
Rot. Bonds1

About 7-ethyl-4,8-dihydro-3H-quinazolin-2-one

7-ethyl-4,8-dihydro-3H-quinazolin-2-one (PubChem CID 163534285) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-ethyl-4,8-dihydro-3H-quinazolin-2-one.

Molecular Properties

Compound Name7-ethyl-4,8-dihydro-3H-quinazolin-2-one
PubChem CID163534285
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name7-ethyl-4,8-dihydro-3H-quinazolin-2-one
SMILESCCC1=CC=C2CNC(=O)N=C2C1
InChIInChI=1S/C10H12N2O/c1-2-7-3-4-8-6-11-10(13)12-9(8)5-7/h3-4H,2,5-6H2,1H3,(H,11,13)
InChIKeyDVQBDEZNEJLSKP-UHFFFAOYSA-N
XLogP1.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4,8-dihydro-3H-quinazolin-2-one?
The IUPAC name of 7-ethyl-4,8-dihydro-3H-quinazolin-2-one (CID 163534285) is 7-ethyl-4,8-dihydro-3H-quinazolin-2-one.
What is the SMILES notation for 7-ethyl-4,8-dihydro-3H-quinazolin-2-one?
The canonical SMILES for 7-ethyl-4,8-dihydro-3H-quinazolin-2-one is CCC1=CC=C2CNC(=O)N=C2C1.
What is the InChIKey of 7-ethyl-4,8-dihydro-3H-quinazolin-2-one?
The InChIKey is DVQBDEZNEJLSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-3-4-8-6-11-10(13)12-9(8)5-7/h3-4H,2,5-6H2,1H3,(H,11,13).
What are the key properties of 7-ethyl-4,8-dihydro-3H-quinazolin-2-one?
7-ethyl-4,8-dihydro-3H-quinazolin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4,8-dihydro-3H-quinazolin-2-one is sourced from PubChem (CID 163534285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).