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

C20H18FN3O — CID 118205472

IUPAC4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ccnc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-14-8-10-23-19(11-14)17-12-20(24-18-7-2-1-6-16(17)18)25-13-15-5-3-4-9-22-15/h3-5,8-12H,1-2,6-7,13H2
InChIKeyJWYJHTPISAIQGQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.14
Rot. Bonds4

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

4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205472) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205472
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ccnc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-14-8-10-23-19(11-14)17-12-20(24-18-7-2-1-6-16(17)18)25-13-15-5-3-4-9-22-15/h3-5,8-12H,1-2,6-7,13H2
InChIKeyJWYJHTPISAIQGQ-UHFFFAOYSA-N
XLogP4.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline 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 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205472) is 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Fc1ccnc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1.
What is the InChIKey of 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is JWYJHTPISAIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-14-8-10-23-19(11-14)17-12-20(24-18-7-2-1-6-16(17)18)25-13-15-5-3-4-9-22-15/h3-5,8-12H,1-2,6-7,13H2.
What are the key properties of 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 335.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).