8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline

C20H16FN3O — CID 162715337

IUPAC8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline
SMILESCc1cc(-n2cccn2)c2cccc(OCc3ccccc3F)c2n1
InChIInChI=1S/C20H16FN3O/c1-14-12-18(24-11-5-10-22-24)16-7-4-9-19(20(16)23-14)25-13-15-6-2-3-8-17(15)21/h2-12H,13H2,1H3
InChIKeyOBIRSVKOQHWSJL-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.45
Rot. Bonds4

About 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline

8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline (PubChem CID 162715337) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline
PubChem CID162715337
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline
SMILESCc1cc(-n2cccn2)c2cccc(OCc3ccccc3F)c2n1
InChIInChI=1S/C20H16FN3O/c1-14-12-18(24-11-5-10-22-24)16-7-4-9-19(20(16)23-14)25-13-15-6-2-3-8-17(15)21/h2-12H,13H2,1H3
InChIKeyOBIRSVKOQHWSJL-UHFFFAOYSA-N
XLogP4.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
Pf-07059013
CID 146591762
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
Mardepodect hydrochloride
CID 122412737
8-Ethoxyquinoline
CID 73781
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
SK&F 96079
CID 196776
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
Pyrazole, 17
CID 11668015

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline?
The IUPAC name of 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline (CID 162715337) is 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline.
What is the SMILES notation for 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline?
The canonical SMILES for 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline is Cc1cc(-n2cccn2)c2cccc(OCc3ccccc3F)c2n1.
What is the InChIKey of 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline?
The InChIKey is OBIRSVKOQHWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-14-12-18(24-11-5-10-22-24)16-7-4-9-19(20(16)23-14)25-13-15-6-2-3-8-17(15)21/h2-12H,13H2,1H3.
What are the key properties of 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline?
8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline has a molecular weight of 333.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methoxy]-2-methyl-4-pyrazol-1-ylquinoline is sourced from PubChem (CID 162715337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).