6-bromo-2,8-dimethyl-3H-quinazolin-4-one

C10H9BrN2O — CID 137009991

IUPAC6-bromo-2,8-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2c(C)cc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-5-3-7(11)4-8-9(5)12-6(2)13-10(8)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyFDJJHTLUBFKDKN-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.30
Rot. Bonds

About 6-bromo-2,8-dimethyl-3H-quinazolin-4-one

6-bromo-2,8-dimethyl-3H-quinazolin-4-one (PubChem CID 137009991) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-2,8-dimethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2,8-dimethyl-3H-quinazolin-4-one
PubChem CID137009991
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-bromo-2,8-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2c(C)cc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-5-3-7(11)4-8-9(5)12-6(2)13-10(8)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyFDJJHTLUBFKDKN-UHFFFAOYSA-N
XLogP2.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(chloromethyl)-8-methyl-3H-quinazolin-4-one
CID 136862960
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
CID 136799212
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
6-bromo-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589018
8-bromo-6-(1-bromoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098446
ethane;8-iodo-2,7-dimethyl-3H-quinazolin-4-one
CID 136653935
6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
CID 167343616
2,6,7-trimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292833
6-bromo-2,4-dichloro-8-methylquinoline
CID 82581146
6-(1-aminoethyl)-8-bromo-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097786
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,8-dimethyl-3H-quinazolin-4-one?
The IUPAC name of 6-bromo-2,8-dimethyl-3H-quinazolin-4-one (CID 137009991) is 6-bromo-2,8-dimethyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-2,8-dimethyl-3H-quinazolin-4-one?
The canonical SMILES for 6-bromo-2,8-dimethyl-3H-quinazolin-4-one is Cc1nc2c(C)cc(Br)cc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-2,8-dimethyl-3H-quinazolin-4-one?
The InChIKey is FDJJHTLUBFKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-5-3-7(11)4-8-9(5)12-6(2)13-10(8)14/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 6-bromo-2,8-dimethyl-3H-quinazolin-4-one?
6-bromo-2,8-dimethyl-3H-quinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,8-dimethyl-3H-quinazolin-4-one is sourced from PubChem (CID 137009991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).