4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

C21H20FN3O — CID 118205297

IUPAC4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESCc1cnc(F)c(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C21H20FN3O/c1-14-10-18(21(22)24-12-14)17-11-20(25-19-8-3-2-7-16(17)19)26-13-15-6-4-5-9-23-15/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeyLGZHZRXJRDBOSG-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.44
Rot. Bonds4

About 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205297) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205297
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESCc1cnc(F)c(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C21H20FN3O/c1-14-10-18(21(22)24-12-14)17-11-20(25-19-8-3-2-7-16(17)19)26-13-15-6-4-5-9-23-15/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKeyLGZHZRXJRDBOSG-UHFFFAOYSA-N
XLogP4.44
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205297) is 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Cc1cnc(F)c(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1.
What is the InChIKey of 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is LGZHZRXJRDBOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-10-18(21(22)24-12-14)17-11-20(25-19-8-3-2-7-16(17)19)26-13-15-6-4-5-9-23-15/h4-6,9-12H,2-3,7-8,13H2,1H3.
What are the key properties of 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 349.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).