(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline

C26H35NO — CID 7283492

IUPAC(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline
SMILESCCCCC[C@@H]1CCc2nc(/C=C/c3ccc(OCCCC)cc3)ccc2C1
InChIInChI=1S/C26H35NO/c1-3-5-7-8-22-12-18-26-23(20-22)13-15-24(27-26)14-9-21-10-16-25(17-11-21)28-19-6-4-2/h9-11,13-17,22H,3-8,12,18-20H2,1-2H3/b14-9+/t22-/m1/s1
InChIKeyGBGGYUKAQKGFKV-UBLKFNIESA-N
MW377.57 g/mol
LogP7.12
Rot. Bonds10

About (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline

(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline (PubChem CID 7283492) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline
PubChem CID7283492
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline
SMILESCCCCC[C@@H]1CCc2nc(/C=C/c3ccc(OCCCC)cc3)ccc2C1
InChIInChI=1S/C26H35NO/c1-3-5-7-8-22-12-18-26-23(20-22)13-15-24(27-26)14-9-21-10-16-25(17-11-21)28-19-6-4-2/h9-11,13-17,22H,3-8,12,18-20H2,1-2H3/b14-9+/t22-/m1/s1
InChIKeyGBGGYUKAQKGFKV-UBLKFNIESA-N
XLogP7.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine
CID 175066876
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-butoxy-4-[6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]benzene
CID 54202125
2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
CID 11840448
2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine
CID 3341850
2-[(E)-2-(4-heptoxyphenyl)ethenyl]-5-heptylpyridine
CID 6184347

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline (CID 7283492) is (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline is CCCCC[C@@H]1CCc2nc(/C=C/c3ccc(OCCCC)cc3)ccc2C1.
What is the InChIKey of (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is GBGGYUKAQKGFKV-UBLKFNIESA-N. The full InChI is InChI=1S/C26H35NO/c1-3-5-7-8-22-12-18-26-23(20-22)13-15-24(27-26)14-9-21-10-16-25(17-11-21)28-19-6-4-2/h9-11,13-17,22H,3-8,12,18-20H2,1-2H3/b14-9+/t22-/m1/s1.
What are the key properties of (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline?
(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 377.57 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 7283492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).