8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

C20H18FN3 — CID 166359802

IUPAC8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1F)CN(c1ccc(-c3ccncc3)cn1)CC2
InChIInChI=1S/C20H18FN3/c1-14-2-3-16-8-11-24(13-18(16)20(14)21)19-5-4-17(12-23-19)15-6-9-22-10-7-15/h2-7,9-10,12H,8,11,13H2,1H3
InChIKeyDYXRZLJHZRSMNI-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.15
Rot. Bonds2

About 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 166359802) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
PubChem CID166359802
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1F)CN(c1ccc(-c3ccncc3)cn1)CC2
InChIInChI=1S/C20H18FN3/c1-14-2-3-16-8-11-24(13-18(16)20(14)21)19-5-4-17(12-23-19)15-6-9-22-10-7-15/h2-7,9-10,12H,8,11,13H2,1H3
InChIKeyDYXRZLJHZRSMNI-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (CID 166359802) is 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1F)CN(c1ccc(-c3ccncc3)cn1)CC2.
What is the InChIKey of 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is DYXRZLJHZRSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-14-2-3-16-8-11-24(13-18(16)20(14)21)19-5-4-17(12-23-19)15-6-9-22-10-7-15/h2-7,9-10,12H,8,11,13H2,1H3.
What are the key properties of 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 319.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166359802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).