2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile

C23H16FN3 — CID 122435764

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(F)cc(C#N)c1-c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H16FN3/c24-20-12-18(14-25)23(19(13-20)15-26)17-7-9-21(10-8-17)27-11-3-5-16-4-1-2-6-22(16)27/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyLONSEQDMHODYBB-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.32
Rot. Bonds2

About 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile

2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile (PubChem CID 122435764) has the molecular formula C23H16FN3 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile
PubChem CID122435764
Molecular FormulaC23H16FN3
Molecular Weight353.40 g/mol
Exact Mass353.13
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(F)cc(C#N)c1-c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H16FN3/c24-20-12-18(14-25)23(19(13-20)15-26)17-7-9-21(10-8-17)27-11-3-5-16-4-1-2-6-22(16)27/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyLONSEQDMHODYBB-UHFFFAOYSA-N
XLogP5.32
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
2-[4-(2,3-dihydroindol-1-yl)phenyl]-5-methylbenzonitrile
CID 122435818
5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 55195565
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile
CID 63668880
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile (CID 122435764) is 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile is N#Cc1cc(F)cc(C#N)c1-c1ccc(N2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile?
The InChIKey is LONSEQDMHODYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3/c24-20-12-18(14-25)23(19(13-20)15-26)17-7-9-21(10-8-17)27-11-3-5-16-4-1-2-6-22(16)27/h1-2,4,6-10,12-13H,3,5,11H2.
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile?
2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile has a molecular weight of 353.40 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 122435764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).