7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane

C11H11BrClFN2O — CID 166162597

IUPAC7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane
SMILESCC.Cc1cc2c(=O)[nH]c(Cl)nc2c(F)c1Br
InChIInChI=1S/C9H5BrClFN2O.C2H6/c1-3-2-4-7(6(12)5(3)10)13-9(11)14-8(4)15;1-2/h2H,1H3,(H,13,14,15);1-2H3
InChIKeyADXMCMVEKSLLDW-UHFFFAOYSA-N
MW321.58 g/mol
LogP3.81
Rot. Bonds

About 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane

7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane (PubChem CID 166162597) has the molecular formula C11H11BrClFN2O and a molecular weight of 321.58 g/mol. Its IUPAC name is 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane.

Molecular Properties

Compound Name7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane
PubChem CID166162597
Molecular FormulaC11H11BrClFN2O
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC Name7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane
SMILESCC.Cc1cc2c(=O)[nH]c(Cl)nc2c(F)c1Br
InChIInChI=1S/C9H5BrClFN2O.C2H6/c1-3-2-4-7(6(12)5(3)10)13-9(11)14-8(4)15;1-2/h2H,1H3,(H,13,14,15);1-2H3
InChIKeyADXMCMVEKSLLDW-UHFFFAOYSA-N
XLogP3.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
CID 167343616
7-bromo-6-chloro-2-ethylsulfanyl-8-fluoro-3H-quinazolin-4-one
CID 166165372
7-bromo-2-chloro-N-cyclopropyl-8-fluoro-N,6-dimethylquinazolin-4-amine;ethane
CID 176976685
7-bromo-6-chloro-8-fluoro-2-(1-methylpiperidin-4-yl)-3H-quinazolin-4-one
CID 155244462
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
CID 136799212
6-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;methane
CID 163983248
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
CID 137121898
7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
6-bromo-2-(chloromethyl)-8-methyl-3H-quinazolin-4-one
CID 136862960
7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
CID 169110681

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane?
The IUPAC name of 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane (CID 166162597) is 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane.
What is the SMILES notation for 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane?
The canonical SMILES for 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane is CC.Cc1cc2c(=O)[nH]c(Cl)nc2c(F)c1Br.
What is the InChIKey of 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane?
The InChIKey is ADXMCMVEKSLLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O.C2H6/c1-3-2-4-7(6(12)5(3)10)13-9(11)14-8(4)15;1-2/h2H,1H3,(H,13,14,15);1-2H3.
What are the key properties of 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane?
7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane has a molecular weight of 321.58 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane is sourced from PubChem (CID 166162597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).