8-chloro-2-[(E)-2-phenylethenyl]quinoline

C17H12ClN — CID 53474916

IUPAC8-chloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1cccc2ccc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C17H12ClN/c18-16-8-4-7-14-10-12-15(19-17(14)16)11-9-13-5-2-1-3-6-13/h1-12H/b11-9+
InChIKeySSVGSLHCOPMPKS-PKNBQFBNSA-N
MW265.74 g/mol
LogP5.06
Rot. Bonds2

About 8-chloro-2-[(E)-2-phenylethenyl]quinoline

8-chloro-2-[(E)-2-phenylethenyl]quinoline (PubChem CID 53474916) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 8-chloro-2-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(E)-2-phenylethenyl]quinoline
PubChem CID53474916
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name8-chloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1cccc2ccc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C17H12ClN/c18-16-8-4-7-14-10-12-15(19-17(14)16)11-9-13-5-2-1-3-6-13/h1-12H/b11-9+
InChIKeySSVGSLHCOPMPKS-PKNBQFBNSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
CID 7210372
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
CID 2949244
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol chloride
CID 135534383
2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline
CID 11726379
1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
CID 162694789
4-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 8-chloro-2-[(E)-2-phenylethenyl]quinoline (CID 53474916) is 8-chloro-2-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 8-chloro-2-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 8-chloro-2-[(E)-2-phenylethenyl]quinoline is Clc1cccc2ccc(/C=C/c3ccccc3)nc12.
What is the InChIKey of 8-chloro-2-[(E)-2-phenylethenyl]quinoline?
The InChIKey is SSVGSLHCOPMPKS-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H12ClN/c18-16-8-4-7-14-10-12-15(19-17(14)16)11-9-13-5-2-1-3-6-13/h1-12H/b11-9+.
What are the key properties of 8-chloro-2-[(E)-2-phenylethenyl]quinoline?
8-chloro-2-[(E)-2-phenylethenyl]quinoline has a molecular weight of 265.74 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 53474916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).