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

C20H17ClFN3O — CID 118205384

IUPAC4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ncc(Cl)cc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17ClFN3O/c21-13-9-17(20(22)24-11-13)16-10-19(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-11H,1-2,6-7,12H2
InChIKeyCJLUSSTUNPTOKF-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.79
Rot. Bonds4

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

4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205384) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205384
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ncc(Cl)cc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H17ClFN3O/c21-13-9-17(20(22)24-11-13)16-10-19(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-11H,1-2,6-7,12H2
InChIKeyCJLUSSTUNPTOKF-UHFFFAOYSA-N
XLogP4.79
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.79
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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Related Compounds

Benzodihydroisofuran derivative 2
CID 57393568
5-(4-Chloro-phenyl)-2-[2-(2-pyrrolidin-1-yl-ethoxy)-pyridin-5-yl-ethynyl]-pyridine
CID 10024145
4-(4-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15981916
4-(3-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983838
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
CID 70169344
US10155760, Example 197
CID 118419900
US10155760, Example 235
CID 118419901
US10155760, Example 241
CID 118419907
US10155760, Example 189
CID 118429844
US10155760, Example 191
CID 118429981
4-(4-Chloro-3-fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 44438666

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205384) is 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Fc1ncc(Cl)cc1-c1cc(OCc2ccccn2)nc2c1CCCC2.
What is the InChIKey of 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is CJLUSSTUNPTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-13-9-17(20(22)24-11-13)16-10-19(25-18-7-2-1-6-15(16)18)26-12-14-5-3-4-8-23-14/h3-5,8-11H,1-2,6-7,12H2.
What are the key properties of 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 369.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).