(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol

C24H26N2O — CID 70263794

IUPAC(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3nc(/C=C/CCCC(C)O)ncc3c2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-19-10-12-20(13-11-19)21-14-15-23-22(16-21)17-25-24(26-23)9-6-4-5-8-18(2)27/h3,6,9-18,27H,1,4-5,7-8H2,2H3/b9-6+
InChIKeySEEPAGRWWMFEEI-RMKNXTFCSA-N
MW358.49 g/mol
LogP5.59
Rot. Bonds8

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

(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol (PubChem CID 70263794) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
PubChem CID70263794
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3nc(/C=C/CCCC(C)O)ncc3c2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-19-10-12-20(13-11-19)21-14-15-23-22(16-21)17-25-24(26-23)9-6-4-5-8-18(2)27/h3,6,9-18,27H,1,4-5,7-8H2,2H3/b9-6+
InChIKeySEEPAGRWWMFEEI-RMKNXTFCSA-N
XLogP5.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
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

7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260940
(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
CID 70263354
7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260867
(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70263664
(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
CID 70260964
(E)-7-[2-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-[2-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70262711
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718

Frequently Asked Questions

What is the IUPAC name of (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol (CID 70263794) is (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc3nc(/C=C/CCCC(C)O)ncc3c2)cc1.
What is the InChIKey of (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The InChIKey is SEEPAGRWWMFEEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-7-19-10-12-20(13-11-19)21-14-15-23-22(16-21)17-25-24(26-23)9-6-4-5-8-18(2)27/h3,6,9-18,27H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol?
(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol has a molecular weight of 358.49 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70263794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).