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

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

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Related Compounds

4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 172596769
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
3-(3-methyl-7-pyridin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 56857215
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 155959100
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 177102462
8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 91551286

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).