4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline

C25H30N2O — CID 6300604

IUPAC4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/C=C/c2ccc3cc(OCC)ccc3n2)cc1
InChIInChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3/b11-7+
InChIKeyBAXMFOTYCJGOCE-YRNVUSSQSA-N
MW374.53 g/mol
LogP6.43
Rot. Bonds9

About 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline

4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline (PubChem CID 6300604) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
PubChem CID6300604
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/C=C/c2ccc3cc(OCC)ccc3n2)cc1
InChIInChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3/b11-7+
InChIKeyBAXMFOTYCJGOCE-YRNVUSSQSA-N
XLogP6.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
N,N-bis(4-methoxyphenyl)-2-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-6-amine iodide
CID 176897042
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
CID 71653668
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 4088723

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline?
The IUPAC name of 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline (CID 6300604) is 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline.
What is the SMILES notation for 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline?
The canonical SMILES for 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline is CCCN(CCC)c1ccc(/C=C/c2ccc3cc(OCC)ccc3n2)cc1.
What is the InChIKey of 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline?
The InChIKey is BAXMFOTYCJGOCE-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3/b11-7+.
What are the key properties of 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline?
4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline has a molecular weight of 374.53 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline is sourced from PubChem (CID 6300604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).