4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline

C15H7F4N5 — CID 110435831

IUPAC4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
SMILESFc1cccc2c(-n3nnc4ccccc43)nc(C(F)(F)F)nc12
InChIInChI=1S/C15H7F4N5/c16-9-5-3-4-8-12(9)20-14(15(17,18)19)21-13(8)24-11-7-2-1-6-10(11)22-23-24/h1-7H
InChIKeyFMILPTVXWXZAOR-UHFFFAOYSA-N
MW333.25 g/mol
LogP3.52
Rot. Bonds1

About 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline

4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline (PubChem CID 110435831) has the molecular formula C15H7F4N5 and a molecular weight of 333.25 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
PubChem CID110435831
Molecular FormulaC15H7F4N5
Molecular Weight333.25 g/mol
Exact Mass333.06
IUPAC Name4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
SMILESFc1cccc2c(-n3nnc4ccccc43)nc(C(F)(F)F)nc12
InChIInChI=1S/C15H7F4N5/c16-9-5-3-4-8-12(9)20-14(15(17,18)19)21-13(8)24-11-7-2-1-6-10(11)22-23-24/h1-7H
InChIKeyFMILPTVXWXZAOR-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline 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

1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
CID 114065329
2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 110433572
N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110434764
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110433571
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
3-(benzotriazol-1-yl)oxazin-4-one
CID 175052746
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline (CID 110435831) is 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline is Fc1cccc2c(-n3nnc4ccccc43)nc(C(F)(F)F)nc12.
What is the InChIKey of 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline?
The InChIKey is FMILPTVXWXZAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4N5/c16-9-5-3-4-8-12(9)20-14(15(17,18)19)21-13(8)24-11-7-2-1-6-10(11)22-23-24/h1-7H.
What are the key properties of 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline?
4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline has a molecular weight of 333.25 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 110435831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).