2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline

C17H21N — CID 54517251

IUPAC2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline
SMILESCC(C)C[C@H](C)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H21N/c1-13(2)12-14(3)8-10-16-11-9-15-6-4-5-7-17(15)18-16/h4-11,13-14H,12H2,1-3H3/b10-8+/t14-/m1/s1
InChIKeyYNGFJGGXHHPNCQ-QSYFUGGGSA-N
MW239.36 g/mol
LogP4.93
Rot. Bonds4

About 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline

2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline (PubChem CID 54517251) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline.

Molecular Properties

Compound Name2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline
PubChem CID54517251
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline
SMILESCC(C)C[C@H](C)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H21N/c1-13(2)12-14(3)8-10-16-11-9-15-6-4-5-7-17(15)18-16/h4-11,13-14H,12H2,1-3H3/b10-8+/t14-/m1/s1
InChIKeyYNGFJGGXHHPNCQ-QSYFUGGGSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid
CID 22926278
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
2-propan-2-yl-5-(2-quinolin-2-ylethenyl)benzene-1,3-diol
CID 175134367
2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
CID 7945993
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844
[(2S)-3-oxobutan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
CID 8851122
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
4-methyl-3-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]pentanoic acid
CID 139018264
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
quinoline-2-carbaldehyde;hydrate
CID 158547927
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433

Frequently Asked Questions

What is the IUPAC name of 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline?
The IUPAC name of 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline (CID 54517251) is 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline.
What is the SMILES notation for 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline?
The canonical SMILES for 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline is CC(C)C[C@H](C)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline?
The InChIKey is YNGFJGGXHHPNCQ-QSYFUGGGSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)12-14(3)8-10-16-11-9-15-6-4-5-7-17(15)18-16/h4-11,13-14H,12H2,1-3H3/b10-8+/t14-/m1/s1.
What are the key properties of 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline?
2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline has a molecular weight of 239.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline is sourced from PubChem (CID 54517251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).