1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C20H19FN2 — CID 15006440

IUPAC1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H19FN2/c1-22-12-10-15(11-13-22)19-14-23(17-8-6-16(21)7-9-17)20-5-3-2-4-18(19)20/h2-10,14H,11-13H2,1H3
InChIKeyQVTIYLFSBMCCJG-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.49
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 15006440) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID15006440
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H19FN2/c1-22-12-10-15(11-13-22)19-14-23(17-8-6-16(21)7-9-17)20-5-3-2-4-18(19)20/h2-10,14H,11-13H2,1H3
InChIKeyQVTIYLFSBMCCJG-UHFFFAOYSA-N
XLogP4.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 15006440) is 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is QVTIYLFSBMCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-22-12-10-15(11-13-22)19-14-23(17-8-6-16(21)7-9-17)20-5-3-2-4-18(19)20/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 306.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 15006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).