3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one

C14H10BrFN6O — CID 67889411

IUPAC3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CBr)nn3)c12
InChIInChI=1S/C14H10BrFN6O/c1-20-13-12(22-6-9(5-15)18-19-22)17-7-21(13)11-3-2-8(16)4-10(11)14(20)23/h2-4,6-7H,5H2,1H3
InChIKeyOBBCLWDZIQWJSC-UHFFFAOYSA-N
MW377.18 g/mol
LogP1.80
Rot. Bonds2

About 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one

3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 67889411) has the molecular formula C14H10BrFN6O and a molecular weight of 377.18 g/mol. Its IUPAC name is 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID67889411
Molecular FormulaC14H10BrFN6O
Molecular Weight377.18 g/mol
Exact Mass376.01
IUPAC Name3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CBr)nn3)c12
InChIInChI=1S/C14H10BrFN6O/c1-20-13-12(22-6-9(5-15)18-19-22)17-7-21(13)11-3-2-8(16)4-10(11)14(20)23/h2-4,6-7H,5H2,1H3
InChIKeyOBBCLWDZIQWJSC-UHFFFAOYSA-N
XLogP1.80
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-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

7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
CID 56613115
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886636
7-fluoro-4-methyl-3-[5-(2-methylcyclopropyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887806
3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886911
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886126
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)triazole
CID 62401176
1-(3-bromo-4-fluorophenyl)-4-(bromomethyl)triazole
CID 104781639
ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
CID 44561388
4-(bromomethyl)-1-(2,3,5-trifluorophenyl)triazole
CID 62814137
1-(4-bromo-3-fluorophenyl)-4-(bromomethyl)triazole
CID 65436233
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one (CID 67889411) is 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CBr)nn3)c12.
What is the InChIKey of 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is OBBCLWDZIQWJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN6O/c1-20-13-12(22-6-9(5-15)18-19-22)17-7-21(13)11-3-2-8(16)4-10(11)14(20)23/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one?
3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 377.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67889411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).