(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine

C15H17ClN2O — CID 112618766

IUPAC(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNC/C=C/c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O/c1-19-11-10-17-8-2-4-12-6-7-14(16)13-5-3-9-18-15(12)13/h2-7,9,17H,8,10-11H2,1H3/b4-2+
InChIKeyMBQUHEKUDMAXJH-DUXPYHPUSA-N
MW276.77 g/mol
LogP3.14
Rot. Bonds6

About (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine

(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 112618766) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID112618766
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNC/C=C/c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O/c1-19-11-10-17-8-2-4-12-6-7-14(16)13-5-3-9-18-15(12)13/h2-7,9,17H,8,10-11H2,1H3/b4-2+
InChIKeyMBQUHEKUDMAXJH-DUXPYHPUSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine with MolForge

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Related Compounds

3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
1-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 112617875
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
CID 115959599
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112618757
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
CID 115960646
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
CID 174478741

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 112618766) is (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is COCCNC/C=C/c1ccc(Cl)c2cccnc12.
What is the InChIKey of (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is MBQUHEKUDMAXJH-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-11-10-17-8-2-4-12-6-7-14(16)13-5-3-9-18-15(12)13/h2-7,9,17H,8,10-11H2,1H3/b4-2+.
What are the key properties of (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 276.77 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 112618766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).