6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline

C24H33NO2 — CID 70260882

IUPAC6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2cc(/C=C/CCCC(C)OCCCCC)ccc2n1
InChIInChI=1S/C24H33NO2/c1-4-6-10-18-26-20(3)11-8-7-9-12-21-13-15-23-22(19-21)14-16-24(25-23)27-17-5-2/h5,9,12-16,19-20H,2,4,6-8,10-11,17-18H2,1,3H3/b12-9+
InChIKeyFVBYXSFMORPBCO-FMIVXFBMSA-N
MW367.53 g/mol
LogP6.58
Rot. Bonds13

About 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline

6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline (PubChem CID 70260882) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline.

Molecular Properties

Compound Name6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline
PubChem CID70260882
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2cc(/C=C/CCCC(C)OCCCCC)ccc2n1
InChIInChI=1S/C24H33NO2/c1-4-6-10-18-26-20(3)11-8-7-9-12-21-13-15-23-22(19-21)14-16-24(25-23)27-17-5-2/h5,9,12-16,19-20H,2,4,6-8,10-11,17-18H2,1,3H3/b12-9+
InChIKeyFVBYXSFMORPBCO-FMIVXFBMSA-N
XLogP6.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enoxypyridazine
CID 70263112
2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene
CID 70265220
1-(6-pentoxyhept-1-enyl)-4-[4-(4-prop-2-enoxyphenyl)phenyl]benzene
CID 70263182
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
2-[(E)-6-pentoxyhept-1-enyl]-6-prop-2-enoxyquinazoline
CID 70261078
5-[4-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]-2-prop-2-enoxypyridine
CID 70260675
3-[4-(6-pentoxyhept-1-enyl)phenyl]-6-(4-prop-2-enoxyphenyl)pyridazine
CID 70260677
2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
CID 70265327
2-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylnaphthalene
CID 70264514
2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine
CID 70264274
2-fluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-1-(4-prop-2-enoxyphenyl)benzene
CID 70260699
5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(5-prop-2-enoxy-2-pyridinyl)pyrimidine
CID 70263998

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline?
The IUPAC name of 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline (CID 70260882) is 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline.
What is the SMILES notation for 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline?
The canonical SMILES for 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline is C=CCOc1ccc2cc(/C=C/CCCC(C)OCCCCC)ccc2n1.
What is the InChIKey of 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline?
The InChIKey is FVBYXSFMORPBCO-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-6-10-18-26-20(3)11-8-7-9-12-21-13-15-23-22(19-21)14-16-24(25-23)27-17-5-2/h5,9,12-16,19-20H,2,4,6-8,10-11,17-18H2,1,3H3/b12-9+.
What are the key properties of 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline?
6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline has a molecular weight of 367.53 g/mol, XLogP of 6.58, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline is sourced from PubChem (CID 70260882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).