7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol

C18H22N2O2 — CID 70263963

IUPAC7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol
SMILESC=CCOc1ccc2nc(C=CCCCC(C)O)cnc2c1
InChIInChI=1S/C18H22N2O2/c1-3-11-22-16-9-10-17-18(12-16)19-13-15(20-17)8-6-4-5-7-14(2)21/h3,6,8-10,12-14,21H,1,4-5,7,11H2,2H3
InChIKeyCRAVRDPFQYTDMT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.76
Rot. Bonds8

About 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol

7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol (PubChem CID 70263963) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol.

Molecular Properties

Compound Name7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol
PubChem CID70263963
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol
SMILESC=CCOc1ccc2nc(C=CCCCC(C)O)cnc2c1
InChIInChI=1S/C18H22N2O2/c1-3-11-22-16-9-10-17-18(12-16)19-13-15(20-17)8-6-4-5-7-14(2)21/h3,6,8-10,12-14,21H,1,4-5,7,11H2,2H3
InChIKeyCRAVRDPFQYTDMT-UHFFFAOYSA-N
XLogP3.76
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[2,3-difluoro-4-(7-prop-2-enoxyisoquinolin-3-yl)phenyl]hept-6-en-2-ol
CID 70264495
7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
CID 70260925
7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260940
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
(E)-7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264356
7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264361
7-[2-fluoro-4-[5-(4-prop-2-enoxyphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260796
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
CID 70262934

Frequently Asked Questions

What is the IUPAC name of 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol?
The IUPAC name of 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol (CID 70263963) is 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol.
What is the SMILES notation for 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol?
The canonical SMILES for 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol is C=CCOc1ccc2nc(C=CCCCC(C)O)cnc2c1.
What is the InChIKey of 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol?
The InChIKey is CRAVRDPFQYTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-11-22-16-9-10-17-18(12-16)19-13-15(20-17)8-6-4-5-7-14(2)21/h3,6,8-10,12-14,21H,1,4-5,7,11H2,2H3.
What are the key properties of 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol?
7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol has a molecular weight of 298.39 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol is sourced from PubChem (CID 70263963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).