2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline

C18H13FN4 — CID 71561162

IUPAC2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline
SMILESCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H13FN4/c1-12-10-13-4-2-3-5-16(13)20-18(12)17-11-23(22-21-17)15-8-6-14(19)7-9-15/h2-11H,1H3
InChIKeyBFZAFNMVMBXCTB-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.93
Rot. Bonds2

About 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline

2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline (PubChem CID 71561162) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline
PubChem CID71561162
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline
SMILESCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H13FN4/c1-12-10-13-4-2-3-5-16(13)20-18(12)17-11-23(22-21-17)15-8-6-14(19)7-9-15/h2-11H,1H3
InChIKeyBFZAFNMVMBXCTB-UHFFFAOYSA-N
XLogP3.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline?
The IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline (CID 71561162) is 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline?
The canonical SMILES for 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline is Cc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline?
The InChIKey is BFZAFNMVMBXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c1-12-10-13-4-2-3-5-16(13)20-18(12)17-11-23(22-21-17)15-8-6-14(19)7-9-15/h2-11H,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline?
2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline has a molecular weight of 304.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)triazol-4-yl]-3-methylquinoline is sourced from PubChem (CID 71561162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).