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

C17H12ClN — CID 18432979

IUPAC4-chloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1cc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H12ClN/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKeyBUHAFKVIZOHVJG-ZHACJKMWSA-N
MW265.74 g/mol
LogP5.06
Rot. Bonds2

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

4-chloro-2-[(E)-2-phenylethenyl]quinoline (PubChem CID 18432979) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-phenylethenyl]quinoline
PubChem CID18432979
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name4-chloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1cc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H12ClN/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKeyBUHAFKVIZOHVJG-ZHACJKMWSA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]quinoline (CID 18432979) is 4-chloro-2-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 4-chloro-2-[(E)-2-phenylethenyl]quinoline is Clc1cc(/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-[(E)-2-phenylethenyl]quinoline?
The InChIKey is BUHAFKVIZOHVJG-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H12ClN/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+.
What are the key properties of 4-chloro-2-[(E)-2-phenylethenyl]quinoline?
4-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 4-chloro-2-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 18432979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).