(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol

C24H26N2O2 — CID 70312016

IUPAC(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ncc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2n1
InChIInChI=1S/C24H26N2O2/c1-3-15-28-24-25-17-22-16-21(13-14-23(22)26-24)20-11-9-19(10-12-20)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyCVKAAEYGXRPHDJ-SOFGYWHQSA-N
MW374.48 g/mol
LogP5.43
Rot. Bonds9

About (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol

(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol (PubChem CID 70312016) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
PubChem CID70312016
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ncc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2n1
InChIInChI=1S/C24H26N2O2/c1-3-15-28-24-25-17-22-16-21(13-14-23(22)26-24)20-11-9-19(10-12-20)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyCVKAAEYGXRPHDJ-SOFGYWHQSA-N
XLogP5.43
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.43
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-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260940
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70263794
7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
CID 70262934
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260867
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol (CID 70312016) is (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol is C=CCOc1ncc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2n1.
What is the InChIKey of (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol?
The InChIKey is CVKAAEYGXRPHDJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-15-28-24-25-17-22-16-21(13-14-23(22)26-24)20-11-9-19(10-12-20)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3/b8-6+.
What are the key properties of (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol?
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol has a molecular weight of 374.48 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70312016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).