6,7-dimethyl-8H-quinazolin-4-one

C10H10N2O — CID 123737560

IUPAC6,7-dimethyl-8H-quinazolin-4-one
SMILESCC1=C(C)CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)11-5-12-10(8)13/h3,5H,4H2,1-2H3
InChIKeyMJRUCNLDHADLMQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.66
Rot. Bonds

About 6,7-dimethyl-8H-quinazolin-4-one

6,7-dimethyl-8H-quinazolin-4-one (PubChem CID 123737560) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6,7-dimethyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-8H-quinazolin-4-one
PubChem CID123737560
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6,7-dimethyl-8H-quinazolin-4-one
SMILESCC1=C(C)CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)11-5-12-10(8)13/h3,5H,4H2,1-2H3
InChIKeyMJRUCNLDHADLMQ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
8-fluoro-8H-quinazolin-4-one
CID 76845720
6-chloro-8H-quinazolin-4-one
CID 91196558
6-methyl-5H-isoquinolin-1-one
CID 91415570
6-iodo-8H-quinazolin-4-one
CID 91423193
6-bromo-8H-quinazolin-4-one
CID 91607100
6,6-Dimethylquinazolin-4-one
CID 174482087
6,7-Dihydrocyclopenta[d]pyrimidin-4-one
CID 175965027
8-amino-7-methyl-8H-quinazolin-4-one
CID 71304069
8-iodo-7-methyl-8H-quinazolin-4-one
CID 71304100
8-Methylidenequinazolin-4-one
CID 71304104
6-Methylidenequinazolin-4-one
CID 73795355

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-8H-quinazolin-4-one?
The IUPAC name of 6,7-dimethyl-8H-quinazolin-4-one (CID 123737560) is 6,7-dimethyl-8H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethyl-8H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethyl-8H-quinazolin-4-one is CC1=C(C)CC2=NC=NC(=O)C2=C1.
What is the InChIKey of 6,7-dimethyl-8H-quinazolin-4-one?
The InChIKey is MJRUCNLDHADLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)11-5-12-10(8)13/h3,5H,4H2,1-2H3.
What are the key properties of 6,7-dimethyl-8H-quinazolin-4-one?
6,7-dimethyl-8H-quinazolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-8H-quinazolin-4-one is sourced from PubChem (CID 123737560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).