2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline

C22H23NO2 — CID 7945993

IUPAC2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccc3ccccc3n2)cc1OCC(C)C
InChIInChI=1S/C22H23NO2/c1-16(2)15-25-22-14-17(9-13-21(22)24-3)8-11-19-12-10-18-6-4-5-7-20(18)23-19/h4-14,16H,15H2,1-3H3/b11-8+
InChIKeyVJRXRJBBJSGXNL-DHZHZOJOSA-N
MW333.43 g/mol
LogP5.45
Rot. Bonds6

About 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline

2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline (PubChem CID 7945993) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
PubChem CID7945993
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccc3ccccc3n2)cc1OCC(C)C
InChIInChI=1S/C22H23NO2/c1-16(2)15-25-22-14-17(9-13-21(22)24-3)8-11-19-12-10-18-6-4-5-7-20(18)23-19/h4-14,16H,15H2,1-3H3/b11-8+
InChIKeyVJRXRJBBJSGXNL-DHZHZOJOSA-N
XLogP5.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
CID 6184265
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-[2-(3-bromo-4,5-diethoxyphenyl)ethenyl]quinoline
CID 2961249
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 175391390
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
2-propan-2-yl-5-(2-quinolin-2-ylethenyl)benzene-1,3-diol
CID 175134367
2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]quinoline
CID 7945989
7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
CID 18284055
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline (CID 7945993) is 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline is COc1ccc(/C=C/c2ccc3ccccc3n2)cc1OCC(C)C.
What is the InChIKey of 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline?
The InChIKey is VJRXRJBBJSGXNL-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(2)15-25-22-14-17(9-13-21(22)24-3)8-11-19-12-10-18-6-4-5-7-20(18)23-19/h4-14,16H,15H2,1-3H3/b11-8+.
What are the key properties of 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline?
2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline has a molecular weight of 333.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline is sourced from PubChem (CID 7945993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).