7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline

C18H12ClF2NO — CID 18276488

IUPAC7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline
SMILESFC(F)Oc1ccccc1/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C18H12ClF2NO/c19-14-8-5-12-6-9-15(22-16(12)11-14)10-7-13-3-1-2-4-17(13)23-18(20)21/h1-11,18H/b10-7+
InChIKeyHGLFMGAEWRHCAQ-JXMROGBWSA-N
MW331.75 g/mol
LogP5.66
Rot. Bonds4

About 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline

7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline (PubChem CID 18276488) has the molecular formula C18H12ClF2NO and a molecular weight of 331.75 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline
PubChem CID18276488
Molecular FormulaC18H12ClF2NO
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline
SMILESFC(F)Oc1ccccc1/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C18H12ClF2NO/c19-14-8-5-12-6-9-15(22-16(12)11-14)10-7-13-3-1-2-4-17(13)23-18(20)21/h1-11,18H/b10-7+
InChIKeyHGLFMGAEWRHCAQ-JXMROGBWSA-N
XLogP5.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.75
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline (CID 18276488) is 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline is FC(F)Oc1ccccc1/C=C/c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline?
The InChIKey is HGLFMGAEWRHCAQ-JXMROGBWSA-N. The full InChI is InChI=1S/C18H12ClF2NO/c19-14-8-5-12-6-9-15(22-16(12)11-14)10-7-13-3-1-2-4-17(13)23-18(20)21/h1-11,18H/b10-7+.
What are the key properties of 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline?
7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline has a molecular weight of 331.75 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline is sourced from PubChem (CID 18276488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).