4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline

C22H25FN2O — CID 144940024

IUPAC4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
SMILESCc1cc(-c2ccnc3ccc(F)cc23)ncc1OCC(C)CC(C)C
InChIInChI=1S/C22H25FN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3
InChIKeyYLXOAYKOWFTONH-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.81
Rot. Bonds6

About 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline

4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline (PubChem CID 144940024) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
PubChem CID144940024
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
SMILESCc1cc(-c2ccnc3ccc(F)cc23)ncc1OCC(C)CC(C)C
InChIInChI=1S/C22H25FN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3
InChIKeyYLXOAYKOWFTONH-UHFFFAOYSA-N
XLogP5.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline?
The IUPAC name of 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline (CID 144940024) is 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline?
The canonical SMILES for 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline is Cc1cc(-c2ccnc3ccc(F)cc23)ncc1OCC(C)CC(C)C.
What is the InChIKey of 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline?
The InChIKey is YLXOAYKOWFTONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-14(2)9-15(3)13-26-22-12-25-21(10-16(22)4)18-7-8-24-20-6-5-17(23)11-19(18)20/h5-8,10-12,14-15H,9,13H2,1-4H3.
What are the key properties of 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline?
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline has a molecular weight of 352.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline is sourced from PubChem (CID 144940024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).