5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine

C20H19ClN2O — CID 5378995

IUPAC5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine
SMILESCCNc1cc(OC)c(/C=C/c2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C20H19ClN2O/c1-3-22-18-13-19(24-2)16(17-5-4-12-23-20(17)18)11-8-14-6-9-15(21)10-7-14/h4-13,22H,3H2,1-2H3/b11-8+
InChIKeyGTMHWFXXEHUSNG-DHZHZOJOSA-N
MW338.84 g/mol
LogP5.50
Rot. Bonds5

About 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine

5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine (PubChem CID 5378995) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine.

Molecular Properties

Compound Name5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine
PubChem CID5378995
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine
SMILESCCNc1cc(OC)c(/C=C/c2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C20H19ClN2O/c1-3-22-18-13-19(24-2)16(17-5-4-12-23-20(17)18)11-8-14-6-9-15(21)10-7-14/h4-13,22H,3H2,1-2H3/b11-8+
InChIKeyGTMHWFXXEHUSNG-DHZHZOJOSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-(4-chlorophenoxy)-6-methoxyquinolin-8-yl]ethane-1,2-diamine;phosphoric acid
CID 172885329
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
CID 132548350
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
CID 162444147
8-chloro-N-ethylquinolin-4-amine
CID 62190462
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
N-(5-methoxyquinolin-8-yl)formamide
CID 886460

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine?
The IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine (CID 5378995) is 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine.
What is the SMILES notation for 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine?
The canonical SMILES for 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine is CCNc1cc(OC)c(/C=C/c2ccc(Cl)cc2)c2cccnc12.
What is the InChIKey of 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine?
The InChIKey is GTMHWFXXEHUSNG-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-3-22-18-13-19(24-2)16(17-5-4-12-23-20(17)18)11-8-14-6-9-15(21)10-7-14/h4-13,22H,3H2,1-2H3/b11-8+.
What are the key properties of 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine?
5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine has a molecular weight of 338.84 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-6-methoxyquinolin-8-amine is sourced from PubChem (CID 5378995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).