6,6-dimethylquinazolin-4-one

C10H10N2O — CID 174482087

IUPAC6,6-dimethylquinazolin-4-one
SMILESCC1(C)C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O/c1-10(2)4-3-8-7(5-10)9(13)12-6-11-8/h3-6H,1-2H3
InChIKeyPFARHKFNRDHMJI-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.52
Rot. Bonds

About 6,6-dimethylquinazolin-4-one

6,6-dimethylquinazolin-4-one (PubChem CID 174482087) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name6,6-dimethylquinazolin-4-one
PubChem CID174482087
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6,6-dimethylquinazolin-4-one
SMILESCC1(C)C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O/c1-10(2)4-3-8-7(5-10)9(13)12-6-11-8/h3-6H,1-2H3
InChIKeyPFARHKFNRDHMJI-UHFFFAOYSA-N
XLogP1.52
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylquinazolin-4-one?
The IUPAC name of 6,6-dimethylquinazolin-4-one (CID 174482087) is 6,6-dimethylquinazolin-4-one.
What is the SMILES notation for 6,6-dimethylquinazolin-4-one?
The canonical SMILES for 6,6-dimethylquinazolin-4-one is CC1(C)C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of 6,6-dimethylquinazolin-4-one?
The InChIKey is PFARHKFNRDHMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-10(2)4-3-8-7(5-10)9(13)12-6-11-8/h3-6H,1-2H3.
What are the key properties of 6,6-dimethylquinazolin-4-one?
6,6-dimethylquinazolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylquinazolin-4-one is sourced from PubChem (CID 174482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).