6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline

C21H18ClFN2 — CID 162659257

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline
SMILESFc1ccc(/C=C/c2cc(N3CCCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H18ClFN2/c22-16-6-10-20-19(13-16)21(25-11-1-2-12-25)14-18(24-20)9-5-15-3-7-17(23)8-4-15/h3-10,13-14H,1-2,11-12H2/b9-5+
InChIKeySCXXWJNSWJIRDI-WEVVVXLNSA-N
MW352.84 g/mol
LogP5.80
Rot. Bonds3

About 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline (PubChem CID 162659257) has the molecular formula C21H18ClFN2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline
PubChem CID162659257
Molecular FormulaC21H18ClFN2
Molecular Weight352.84 g/mol
Exact Mass352.11
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline
SMILESFc1ccc(/C=C/c2cc(N3CCCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H18ClFN2/c22-16-6-10-20-19(13-16)21(25-11-1-2-12-25)14-18(24-20)9-5-15-3-7-17(23)8-4-15/h3-10,13-14H,1-2,11-12H2/b9-5+
InChIKeySCXXWJNSWJIRDI-WEVVVXLNSA-N
XLogP5.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.84
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline (CID 162659257) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline is Fc1ccc(/C=C/c2cc(N3CCCC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline?
The InChIKey is SCXXWJNSWJIRDI-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H18ClFN2/c22-16-6-10-20-19(13-16)21(25-11-1-2-12-25)14-18(24-20)9-5-15-3-7-17(23)8-4-15/h3-10,13-14H,1-2,11-12H2/b9-5+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline has a molecular weight of 352.84 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 162659257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).