7,7-dimethyl-6,8-dihydroquinazolin-5-one

C10H12N2O — CID 11355804

IUPAC7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cncnc2C1
InChIInChI=1S/C10H12N2O/c1-10(2)3-8-7(9(13)4-10)5-11-6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyIKLDTAXTEONBQY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.63
Rot. Bonds

About 7,7-dimethyl-6,8-dihydroquinazolin-5-one

7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 11355804) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID11355804
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cncnc2C1
InChIInChI=1S/C10H12N2O/c1-10(2)3-8-7(9(13)4-10)5-11-6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyIKLDTAXTEONBQY-UHFFFAOYSA-N
XLogP1.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 11355804) is 7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cncnc2C1.
What is the InChIKey of 7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is IKLDTAXTEONBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)3-8-7(9(13)4-10)5-11-6-12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 176.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 11355804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).