3,4,5,6-tetrahydro-1H-quinazolin-2-one

C8H10N2O — CID 54227305

IUPAC3,4,5,6-tetrahydro-1H-quinazolin-2-one
SMILESO=C1NCC2=C(C=CCC2)N1
InChIInChI=1S/C8H10N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h2,4H,1,3,5H2,(H2,9,10,11)
InChIKeyQGTKNFOUQNBRSN-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.90
Rot. Bonds

About 3,4,5,6-tetrahydro-1H-quinazolin-2-one

3,4,5,6-tetrahydro-1H-quinazolin-2-one (PubChem CID 54227305) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-1H-quinazolin-2-one
PubChem CID54227305
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3,4,5,6-tetrahydro-1H-quinazolin-2-one
SMILESO=C1NCC2=C(C=CCC2)N1
InChIInChI=1S/C8H10N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h2,4H,1,3,5H2,(H2,9,10,11)
InChIKeyQGTKNFOUQNBRSN-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 3,4,5,6-tetrahydro-1H-quinazolin-2-one (CID 54227305) is 3,4,5,6-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 3,4,5,6-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 3,4,5,6-tetrahydro-1H-quinazolin-2-one is O=C1NCC2=C(C=CCC2)N1.
What is the InChIKey of 3,4,5,6-tetrahydro-1H-quinazolin-2-one?
The InChIKey is QGTKNFOUQNBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h2,4H,1,3,5H2,(H2,9,10,11).
What are the key properties of 3,4,5,6-tetrahydro-1H-quinazolin-2-one?
3,4,5,6-tetrahydro-1H-quinazolin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 54227305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).