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

C24H26N2O2 — CID 70260940

IUPAC7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-15-28-22-12-9-19(10-13-22)20-11-14-23-21(16-20)17-25-24(26-23)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3
InChIKeyUPOZMIAFMPXWAP-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.43
Rot. Bonds9

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

7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol (PubChem CID 70260940) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
PubChem CID70260940
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-15-28-22-12-9-19(10-13-22)20-11-14-23-21(16-20)17-25-24(26-23)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3
InChIKeyUPOZMIAFMPXWAP-UHFFFAOYSA-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

(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70263794
7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260867
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(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
2-[(E)-6-pentoxyhept-1-enyl]-6-prop-2-enoxyquinazoline
CID 70261078
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[2-fluoro-4-[5-(4-prop-2-enoxyphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260796
7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol
CID 70263963
(E)-7-[2,3-difluoro-4-(7-prop-2-enoxyisoquinolin-3-yl)phenyl]hept-6-en-2-ol
CID 70264495

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The IUPAC name of 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol (CID 70260940) is 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)cc1.
What is the InChIKey of 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
The InChIKey is UPOZMIAFMPXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-15-28-22-12-9-19(10-13-22)20-11-14-23-21(16-20)17-25-24(26-23)8-6-4-5-7-18(2)27/h3,6,8-14,16-18,27H,1,4-5,7,15H2,2H3.
What are the key properties of 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol?
7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]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 7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70260940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).