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

C20H18FN3O — CID 118205540

IUPAC4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H18FN3O/c21-20-16(8-5-11-23-20)17-12-19(24-18-9-2-1-7-15(17)18)25-13-14-6-3-4-10-22-14/h3-6,8,10-12H,1-2,7,9,13H2
InChIKeyMMFRHPJRLYJNAH-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.14
Rot. Bonds4

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

4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205540) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205540
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C20H18FN3O/c21-20-16(8-5-11-23-20)17-12-19(24-18-9-2-1-7-15(17)18)25-13-14-6-3-4-10-22-14/h3-6,8,10-12H,1-2,7,9,13H2
InChIKeyMMFRHPJRLYJNAH-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

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-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205540) is 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Fc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is MMFRHPJRLYJNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-20-16(8-5-11-23-20)17-12-19(24-18-9-2-1-7-15(17)18)25-13-14-6-3-4-10-22-14/h3-6,8,10-12H,1-2,7,9,13H2.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(2-fluoro-3-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-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).