6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one

C18H15BrN2O2 — CID 7488393

IUPAC6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-6-4-13(19)8-15(16)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyLLESOVUODOSTEB-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.66
Rot. Bonds3

About 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one

6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7488393) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID7488393
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-6-4-13(19)8-15(16)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyLLESOVUODOSTEB-UHFFFAOYSA-N
XLogP3.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66310833
6-bromo-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]quinazolin-4-one
CID 38834090
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one (CID 7488393) is 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one is Cc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)c1.
What is the InChIKey of 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is LLESOVUODOSTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-6-4-13(19)8-15(16)18(21)23/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one?
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 371.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7488393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).