6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

C17H11BrN4OS — CID 25307974

IUPAC6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H11BrN4OS/c18-11-4-5-14-13(7-11)17(23)22(10-20-14)8-12-9-24-16(21-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2
InChIKeyUGLXHTKCEBVJLA-UHFFFAOYSA-N
MW399.27 g/mol
LogP3.73
Rot. Bonds3

About 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (PubChem CID 25307974) has the molecular formula C17H11BrN4OS and a molecular weight of 399.27 g/mol. Its IUPAC name is 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
PubChem CID25307974
Molecular FormulaC17H11BrN4OS
Molecular Weight399.27 g/mol
Exact Mass397.98
IUPAC Name6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H11BrN4OS/c18-11-4-5-14-13(7-11)17(23)22(10-20-14)8-12-9-24-16(21-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2
InChIKeyUGLXHTKCEBVJLA-UHFFFAOYSA-N
XLogP3.73
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-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

N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611468
6-bromo-3-(2-methylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 24618729
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
6-bromo-3-[(2-phenyltriazol-4-yl)methyl]quinazolin-4-one
CID 46457990
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 38963071
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (CID 25307974) is 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is UGLXHTKCEBVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4OS/c18-11-4-5-14-13(7-11)17(23)22(10-20-14)8-12-9-24-16(21-12)15-3-1-2-6-19-15/h1-7,9-10H,8H2.
What are the key properties of 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 399.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 25307974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).