8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

C20H24FN5 — CID 133449020

IUPAC8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCCC(c3nncn3C(C)C)C2)c2cccc(F)c2n1
InChIInChI=1S/C20H24FN5/c1-13(2)26-12-22-24-20(26)15-6-5-9-25(11-15)18-10-14(3)23-19-16(18)7-4-8-17(19)21/h4,7-8,10,12-13,15H,5-6,9,11H2,1-3H3
InChIKeyMQIZBMZIVIQSQQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.24
Rot. Bonds3

About 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (PubChem CID 133449020) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
PubChem CID133449020
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCCC(c3nncn3C(C)C)C2)c2cccc(F)c2n1
InChIInChI=1S/C20H24FN5/c1-13(2)26-12-22-24-20(26)15-6-5-9-25(11-15)18-10-14(3)23-19-16(18)7-4-8-17(19)21/h4,7-8,10,12-13,15H,5-6,9,11H2,1-3H3
InChIKeyMQIZBMZIVIQSQQ-UHFFFAOYSA-N
XLogP4.24
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline 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 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (CID 133449020) is 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is Cc1cc(N2CCCC(c3nncn3C(C)C)C2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is MQIZBMZIVIQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-13(2)26-12-22-24-20(26)15-6-5-9-25(11-15)18-10-14(3)23-19-16(18)7-4-8-17(19)21/h4,7-8,10,12-13,15H,5-6,9,11H2,1-3H3.
What are the key properties of 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 353.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133449020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).