2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline

C19H15ClFN5 — CID 11428602

IUPAC2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
SMILESCCc1cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2nc1Cl
InChIInChI=1S/C19H15ClFN5/c1-3-12-9-14-10-13(6-7-15(14)23-18(12)20)17-11(2)26(25-24-17)16-5-4-8-22-19(16)21/h4-10H,3H2,1-2H3
InChIKeyVMIMOLIVEPPFHG-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline

2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline (PubChem CID 11428602) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline.

Molecular Properties

Compound Name2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
PubChem CID11428602
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
SMILESCCc1cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2nc1Cl
InChIInChI=1S/C19H15ClFN5/c1-3-12-9-14-10-13(6-7-15(14)23-18(12)20)17-11(2)26(25-24-17)16-5-4-8-22-19(16)21/h4-10H,3H2,1-2H3
InChIKeyVMIMOLIVEPPFHG-UHFFFAOYSA-N
XLogP4.54
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The IUPAC name of 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline (CID 11428602) is 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline.
What is the SMILES notation for 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The canonical SMILES for 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline is CCc1cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2nc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The InChIKey is VMIMOLIVEPPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-3-12-9-14-10-13(6-7-15(14)23-18(12)20)17-11(2)26(25-24-17)16-5-4-8-22-19(16)21/h4-10H,3H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline has a molecular weight of 367.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline is sourced from PubChem (CID 11428602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).