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

C25H27ClFN3O — CID 162645505

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C25H27ClFN3O/c26-20-6-10-24-23(17-20)25(28-11-1-2-12-30-13-15-31-16-14-30)18-22(29-24)9-5-19-3-7-21(27)8-4-19/h3-10,17-18H,1-2,11-16H2,(H,28,29)/b9-5+
InChIKeyMNOKNBDUYLMXKC-WEVVVXLNSA-N
MW439.96 g/mol
LogP5.72
Rot. Bonds8

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

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine (PubChem CID 162645505) has the molecular formula C25H27ClFN3O and a molecular weight of 439.96 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
PubChem CID162645505
Molecular FormulaC25H27ClFN3O
Molecular Weight439.96 g/mol
Exact Mass439.18
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
SMILESFc1ccc(/C=C/c2cc(NCCCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C25H27ClFN3O/c26-20-6-10-24-23(17-20)25(28-11-1-2-12-30-13-15-31-16-14-30)18-22(29-24)9-5-19-3-7-21(27)8-4-19/h3-10,17-18H,1-2,11-16H2,(H,28,29)/b9-5+
InChIKeyMNOKNBDUYLMXKC-WEVVVXLNSA-N
XLogP5.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)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

Related Compounds

6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
CID 162656726
6-chloro-N-[4-(4-methylpiperazin-1-yl)butyl]-2-[(E)-2-phenylethenyl]quinolin-4-amine
CID 162665698
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
6-chloro-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938150
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938165
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
7-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 121453160
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
CID 56649871

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine (CID 162645505) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine is Fc1ccc(/C=C/c2cc(NCCCCN3CCOCC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine?
The InChIKey is MNOKNBDUYLMXKC-WEVVVXLNSA-N. The full InChI is InChI=1S/C25H27ClFN3O/c26-20-6-10-24-23(17-20)25(28-11-1-2-12-30-13-15-31-16-14-30)18-22(29-24)9-5-19-3-7-21(27)8-4-19/h3-10,17-18H,1-2,11-16H2,(H,28,29)/b9-5+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine has a molecular weight of 439.96 g/mol, XLogP of 5.72, 8 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-(4-morpholin-4-ylbutyl)quinolin-4-amine is sourced from PubChem (CID 162645505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).