5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile

C16H13ClN2 — CID 55195565

IUPAC5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCCc2ccccc21
InChIInChI=1S/C16H13ClN2/c17-14-7-8-16(13(10-14)11-18)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyXXDZSVOYVCFWOA-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.30
Rot. Bonds1

About 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile

5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile (PubChem CID 55195565) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
PubChem CID55195565
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCCc2ccccc21
InChIInChI=1S/C16H13ClN2/c17-14-7-8-16(13(10-14)11-18)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyXXDZSVOYVCFWOA-UHFFFAOYSA-N
XLogP4.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-5-fluorobenzene-1,3-dicarbonitrile
CID 122435764
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512095
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
CID 115766622
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 78939334
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
CID 29275006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The IUPAC name of 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile (CID 55195565) is 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The canonical SMILES for 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile is N#Cc1cc(Cl)ccc1N1CCCc2ccccc21.
What is the InChIKey of 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The InChIKey is XXDZSVOYVCFWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-7-8-16(13(10-14)11-18)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile has a molecular weight of 268.75 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile is sourced from PubChem (CID 55195565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).