2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline

C23H16ClN — CID 156809469

IUPAC2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
SMILESClc1cc(-c2ccccc2)c2cc(/C=C/c3ccccc3)ccc2n1
InChIInChI=1S/C23H16ClN/c24-23-16-20(19-9-5-2-6-10-19)21-15-18(13-14-22(21)25-23)12-11-17-7-3-1-4-8-17/h1-16H/b12-11+
InChIKeyCUNQSXFRYINIFN-VAWYXSNFSA-N
MW341.84 g/mol
LogP6.73
Rot. Bonds3

About 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline

2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline (PubChem CID 156809469) has the molecular formula C23H16ClN and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
PubChem CID156809469
Molecular FormulaC23H16ClN
Molecular Weight341.84 g/mol
Exact Mass341.10
IUPAC Name2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
SMILESClc1cc(-c2ccccc2)c2cc(/C=C/c3ccccc3)ccc2n1
InChIInChI=1S/C23H16ClN/c24-23-16-20(19-9-5-2-6-10-19)21-15-18(13-14-22(21)25-23)12-11-17-7-3-1-4-8-17/h1-16H/b12-11+
InChIKeyCUNQSXFRYINIFN-VAWYXSNFSA-N
XLogP6.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine
CID 166667057
2-chloro-4-naphthalen-2-ylquinoline
CID 118874947
3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 133087909
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
2,4-dichloroquinoline-6-carbaldehyde
CID 89405666
3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole
CID 18874844
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
4-[(E)-2-(5,8-diphenylnaphthalen-2-yl)ethenyl]benzoic acid
CID 86302393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline (CID 156809469) is 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline is Clc1cc(-c2ccccc2)c2cc(/C=C/c3ccccc3)ccc2n1.
What is the InChIKey of 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline?
The InChIKey is CUNQSXFRYINIFN-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H16ClN/c24-23-16-20(19-9-5-2-6-10-19)21-15-18(13-14-22(21)25-23)12-11-17-7-3-1-4-8-17/h1-16H/b12-11+.
What are the key properties of 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline?
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline has a molecular weight of 341.84 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 156809469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).