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

C23H24ClN3 — CID 162648339

IUPAC6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccccc3)cc(NCCN3CCCC3)c2c1
InChIInChI=1S/C23H24ClN3/c24-19-9-11-22-21(16-19)23(25-12-15-27-13-4-5-14-27)17-20(26-22)10-8-18-6-2-1-3-7-18/h1-3,6-11,16-17H,4-5,12-15H2,(H,25,26)/b10-8+
InChIKeyZOIHTMYADIXYRK-CSKARUKUSA-N
MW377.92 g/mol
LogP5.57
Rot. Bonds6

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

6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (PubChem CID 162648339) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
PubChem CID162648339
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccccc3)cc(NCCN3CCCC3)c2c1
InChIInChI=1S/C23H24ClN3/c24-19-9-11-22-21(16-19)23(25-12-15-27-13-4-5-14-27)17-20(26-22)10-8-18-6-2-1-3-7-18/h1-3,6-11,16-17H,4-5,12-15H2,(H,25,26)/b10-8+
InChIKeyZOIHTMYADIXYRK-CSKARUKUSA-N
XLogP5.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.57
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-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine (CID 162648339) is 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is Clc1ccc2nc(/C=C/c3ccccc3)cc(NCCN3CCCC3)c2c1.
What is the InChIKey of 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
The InChIKey is ZOIHTMYADIXYRK-CSKARUKUSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-19-9-11-22-21(16-19)23(25-12-15-27-13-4-5-14-27)17-20(26-22)10-8-18-6-2-1-3-7-18/h1-3,6-11,16-17H,4-5,12-15H2,(H,25,26)/b10-8+.
What are the key properties of 6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine?
6-chloro-2-[(E)-2-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine has a molecular weight of 377.92 g/mol, XLogP of 5.57, 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-phenylethenyl]-N-(2-pyrrolidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 162648339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).