3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one

C17H15BrN2O3 — CID 24740952

IUPAC3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(CBr)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-12-4-6-16(11(7-12)9-18)20-10-19-15-5-3-13(23-2)8-14(15)17(20)21/h3-8,10H,9H2,1-2H3
InChIKeyZTIDMOSFRSLUMZ-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.30
Rot. Bonds4

About 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one

3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one (PubChem CID 24740952) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
PubChem CID24740952
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(CBr)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-12-4-6-16(11(7-12)9-18)20-10-19-15-5-3-13(23-2)8-14(15)17(20)21/h3-8,10H,9H2,1-2H3
InChIKeyZTIDMOSFRSLUMZ-UHFFFAOYSA-N
XLogP3.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
CID 24740953
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
CID 127029117
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
CID 19605774
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799150

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one?
The IUPAC name of 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one (CID 24740952) is 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one is COc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(CBr)c1.
What is the InChIKey of 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one?
The InChIKey is ZTIDMOSFRSLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-12-4-6-16(11(7-12)9-18)20-10-19-15-5-3-13(23-2)8-14(15)17(20)21/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one?
3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one has a molecular weight of 375.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one is sourced from PubChem (CID 24740952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).