6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

C23H23ClFN3 — CID 162647763

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCN3CCCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H23ClFN3/c24-18-6-10-22-21(15-18)23(26-11-14-28-12-1-2-13-28)16-20(27-22)9-5-17-3-7-19(25)8-4-17/h3-10,15-16H,1-2,11-14H2,(H,26,27)/b9-5+
InChIKeyMAONKBDMQSIWEG-WEVVVXLNSA-N
MW395.91 g/mol
LogP5.71
Rot. Bonds6

About 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (PubChem CID 162647763) has the molecular formula C23H23ClFN3 and a molecular weight of 395.91 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
PubChem CID162647763
Molecular FormulaC23H23ClFN3
Molecular Weight395.91 g/mol
Exact Mass395.16
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCN3CCCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H23ClFN3/c24-18-6-10-22-21(15-18)23(26-11-14-28-12-1-2-13-28)16-20(27-22)9-5-17-3-7-19(25)8-4-17/h3-10,15-16H,1-2,11-14H2,(H,26,27)/b9-5+
InChIKeyMAONKBDMQSIWEG-WEVVVXLNSA-N
XLogP5.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (CID 162647763) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is Fc1ccc(/C=C/c2cc(NCCN3CCCC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The InChIKey is MAONKBDMQSIWEG-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H23ClFN3/c24-18-6-10-22-21(15-18)23(26-11-14-28-12-1-2-13-28)16-20(27-22)9-5-17-3-7-19(25)8-4-17/h3-10,15-16H,1-2,11-14H2,(H,26,27)/b9-5+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine has a molecular weight of 395.91 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 162647763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).