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

C23H23ClFN3O — CID 162650876

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H23ClFN3O/c24-18-4-8-22-21(15-18)23(26-9-10-28-11-13-29-14-12-28)16-20(27-22)7-3-17-1-5-19(25)6-2-17/h1-8,15-16H,9-14H2,(H,26,27)/b7-3+
InChIKeyONRCUGDPWXUAPM-XVNBXDOJSA-N
MW411.91 g/mol
LogP4.94
Rot. Bonds6

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

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (PubChem CID 162650876) has the molecular formula C23H23ClFN3O and a molecular weight of 411.91 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
PubChem CID162650876
Molecular FormulaC23H23ClFN3O
Molecular Weight411.91 g/mol
Exact Mass411.15
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H23ClFN3O/c24-18-4-8-22-21(15-18)23(26-9-10-28-11-13-29-14-12-28)16-20(27-22)7-3-17-1-5-19(25)6-2-17/h1-8,15-16H,9-14H2,(H,26,27)/b7-3+
InChIKeyONRCUGDPWXUAPM-XVNBXDOJSA-N
XLogP4.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (CID 162650876) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is Fc1ccc(/C=C/c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The InChIKey is ONRCUGDPWXUAPM-XVNBXDOJSA-N. The full InChI is InChI=1S/C23H23ClFN3O/c24-18-4-8-22-21(15-18)23(26-9-10-28-11-13-29-14-12-28)16-20(27-22)7-3-17-1-5-19(25)6-2-17/h1-8,15-16H,9-14H2,(H,26,27)/b7-3+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine has a molecular weight of 411.91 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is sourced from PubChem (CID 162650876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).