8-[(2E)-2-benzylidenebutyl]quinoline

C20H19N — CID 102359194

IUPAC8-[(2E)-2-benzylidenebutyl]quinoline
SMILESCC/C(=C\c1ccccc1)Cc1cccc2cccnc12
InChIInChI=1S/C20H19N/c1-2-16(14-17-8-4-3-5-9-17)15-19-11-6-10-18-12-7-13-21-20(18)19/h3-14H,2,15H2,1H3/b16-14+
InChIKeyZTIBFDFJQSSJBP-JQIJEIRASA-N
MW273.38 g/mol
LogP5.27
Rot. Bonds4

About 8-[(2E)-2-benzylidenebutyl]quinoline

8-[(2E)-2-benzylidenebutyl]quinoline (PubChem CID 102359194) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-[(2E)-2-benzylidenebutyl]quinoline.

Molecular Properties

Compound Name8-[(2E)-2-benzylidenebutyl]quinoline
PubChem CID102359194
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name8-[(2E)-2-benzylidenebutyl]quinoline
SMILESCC/C(=C\c1ccccc1)Cc1cccc2cccnc12
InChIInChI=1S/C20H19N/c1-2-16(14-17-8-4-3-5-9-17)15-19-11-6-10-18-12-7-13-21-20(18)19/h3-14H,2,15H2,1H3/b16-14+
InChIKeyZTIBFDFJQSSJBP-JQIJEIRASA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-quinolin-8-ylacetate
CID 52562898
8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline
CID 102359192
8-(2-methylprop-2-enyl)quinoline
CID 142452195
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
aluminum quinolin-8-ylmethanol
CID 23124809
N-[(2-quinolin-8-ylphenyl)methyl]ethanamine
CID 81224519
6-quinolin-8-ylhexan-3-one
CID 132571149
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
N-(quinolin-8-ylmethyl)aniline
CID 28610045
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-benzylidenebutyl]quinoline?
The IUPAC name of 8-[(2E)-2-benzylidenebutyl]quinoline (CID 102359194) is 8-[(2E)-2-benzylidenebutyl]quinoline.
What is the SMILES notation for 8-[(2E)-2-benzylidenebutyl]quinoline?
The canonical SMILES for 8-[(2E)-2-benzylidenebutyl]quinoline is CC/C(=C\c1ccccc1)Cc1cccc2cccnc12.
What is the InChIKey of 8-[(2E)-2-benzylidenebutyl]quinoline?
The InChIKey is ZTIBFDFJQSSJBP-JQIJEIRASA-N. The full InChI is InChI=1S/C20H19N/c1-2-16(14-17-8-4-3-5-9-17)15-19-11-6-10-18-12-7-13-21-20(18)19/h3-14H,2,15H2,1H3/b16-14+.
What are the key properties of 8-[(2E)-2-benzylidenebutyl]quinoline?
8-[(2E)-2-benzylidenebutyl]quinoline has a molecular weight of 273.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-benzylidenebutyl]quinoline is sourced from PubChem (CID 102359194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).