8-(3,7-dimethyloct-6-enoxy)quinoline

C19H25NO — CID 70351839

IUPAC8-(3,7-dimethyloct-6-enoxy)quinoline
SMILESCC(C)=CCCC(C)CCOc1cccc2cccnc12
InChIInChI=1S/C19H25NO/c1-15(2)7-4-8-16(3)12-14-21-18-11-5-9-17-10-6-13-20-19(17)18/h5-7,9-11,13,16H,4,8,12,14H2,1-3H3
InChIKeyIQSCYLWMGBKAKH-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.39
Rot. Bonds7

About 8-(3,7-dimethyloct-6-enoxy)quinoline

8-(3,7-dimethyloct-6-enoxy)quinoline (PubChem CID 70351839) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 8-(3,7-dimethyloct-6-enoxy)quinoline.

Molecular Properties

Compound Name8-(3,7-dimethyloct-6-enoxy)quinoline
PubChem CID70351839
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name8-(3,7-dimethyloct-6-enoxy)quinoline
SMILESCC(C)=CCCC(C)CCOc1cccc2cccnc12
InChIInChI=1S/C19H25NO/c1-15(2)7-4-8-16(3)12-14-21-18-11-5-9-17-10-6-13-20-19(17)18/h5-7,9-11,13,16H,4,8,12,14H2,1-3H3
InChIKeyIQSCYLWMGBKAKH-UHFFFAOYSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,7-dimethyloct-6-enoxy)pyrimidine
CID 139618937
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
2-quinolin-8-yloxyethanamine
CID 17174906
2-ethoxy-4-quinolin-8-yloxybutan-1-amine
CID 55146476
8-(6-chlorohexoxy)quinoline
CID 62228191
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
CID 175252766
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
8-(chloromethoxy)quinoline
CID 79531226
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304

Frequently Asked Questions

What is the IUPAC name of 8-(3,7-dimethyloct-6-enoxy)quinoline?
The IUPAC name of 8-(3,7-dimethyloct-6-enoxy)quinoline (CID 70351839) is 8-(3,7-dimethyloct-6-enoxy)quinoline.
What is the SMILES notation for 8-(3,7-dimethyloct-6-enoxy)quinoline?
The canonical SMILES for 8-(3,7-dimethyloct-6-enoxy)quinoline is CC(C)=CCCC(C)CCOc1cccc2cccnc12.
What is the InChIKey of 8-(3,7-dimethyloct-6-enoxy)quinoline?
The InChIKey is IQSCYLWMGBKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)7-4-8-16(3)12-14-21-18-11-5-9-17-10-6-13-20-19(17)18/h5-7,9-11,13,16H,4,8,12,14H2,1-3H3.
What are the key properties of 8-(3,7-dimethyloct-6-enoxy)quinoline?
8-(3,7-dimethyloct-6-enoxy)quinoline has a molecular weight of 283.42 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-dimethyloct-6-enoxy)quinoline is sourced from PubChem (CID 70351839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).