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

C20H17FN4 — CID 71561283

IUPAC2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline
SMILESCCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4/c1-2-5-15-12-14-6-3-4-7-18(14)22-20(15)19-13-25(24-23-19)17-10-8-16(21)9-11-17/h3-4,6-13H,2,5H2,1H3
InChIKeyLPFPTNQFJWKQNR-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.57
Rot. Bonds4

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

2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline (PubChem CID 71561283) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline
PubChem CID71561283
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline
SMILESCCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4/c1-2-5-15-12-14-6-3-4-7-18(14)22-20(15)19-13-25(24-23-19)17-10-8-16(21)9-11-17/h3-4,6-13H,2,5H2,1H3
InChIKeyLPFPTNQFJWKQNR-UHFFFAOYSA-N
XLogP4.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline?
The IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline (CID 71561283) is 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline?
The canonical SMILES for 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline is CCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline?
The InChIKey is LPFPTNQFJWKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-2-5-15-12-14-6-3-4-7-18(14)22-20(15)19-13-25(24-23-19)17-10-8-16(21)9-11-17/h3-4,6-13H,2,5H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline?
2-[1-(4-fluorophenyl)triazol-4-yl]-3-propylquinoline has a molecular weight of 332.38 g/mol, XLogP of 4.57, 4 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-propylquinoline is sourced from PubChem (CID 71561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).