7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol

C24H24F2N2O2 — CID 70260867

IUPAC7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)c(F)c1F
InChIInChI=1S/C24H24F2N2O2/c1-3-13-30-21-12-10-19(23(25)24(21)26)17-9-11-20-18(14-17)15-27-22(28-20)8-6-4-5-7-16(2)29/h3,6,8-12,14-16,29H,1,4-5,7,13H2,2H3
InChIKeyPMNFFKAUTNAQEK-UHFFFAOYSA-N
MW410.46 g/mol
LogP5.70
Rot. Bonds9

About 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol

7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol (PubChem CID 70260867) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
PubChem CID70260867
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC Name7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)c(F)c1F
InChIInChI=1S/C24H24F2N2O2/c1-3-13-30-21-12-10-19(23(25)24(21)26)17-9-11-20-18(14-17)15-27-22(28-20)8-6-4-5-7-16(2)29/h3,6,8-12,14-16,29H,1,4-5,7,13H2,2H3
InChIKeyPMNFFKAUTNAQEK-UHFFFAOYSA-N
XLogP5.70
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 55.70
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-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70263794
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260643
7-[2,3-difluoro-4-(2-prop-2-enylquinoxalin-6-yl)phenyl]hept-6-en-2-ol
CID 70263046
(E)-7-[2,3-difluoro-4-(7-prop-2-enoxyisoquinolin-3-yl)phenyl]hept-6-en-2-ol
CID 70264495
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
CID 70260925
5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-(6-pentoxyhept-1-enyl)pyrimidine
CID 70264027
7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263119
(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
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The IUPAC name of 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol (CID 70260867) is 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)c(F)c1F.
What is the InChIKey of 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The InChIKey is PMNFFKAUTNAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-3-13-30-21-12-10-19(23(25)24(21)26)17-9-11-20-18(14-17)15-27-22(28-20)8-6-4-5-7-16(2)29/h3,6,8-12,14-16,29H,1,4-5,7,13H2,2H3.
What are the key properties of 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol has a molecular weight of 410.46 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70260867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).