5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol

C17H20N2O2 — CID 171541795

IUPAC5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
SMILESC=CCc1cc(CN2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C17H20N2O2/c1-2-4-13-11-14(12-19-7-9-21-10-8-19)15-5-3-6-18-16(15)17(13)20/h2-3,5-6,11,20H,1,4,7-10,12H2
InChIKeyFDJYZLKWVHTJET-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds4

About 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol

5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol (PubChem CID 171541795) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
PubChem CID171541795
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
SMILESC=CCc1cc(CN2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C17H20N2O2/c1-2-4-13-11-14(12-19-7-9-21-10-8-19)15-5-3-6-18-16(15)17(13)20/h2-3,5-6,11,20H,1,4,7-10,12H2
InChIKeyFDJYZLKWVHTJET-UHFFFAOYSA-N
XLogP2.50
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol?
The IUPAC name of 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol (CID 171541795) is 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol is C=CCc1cc(CN2CCOCC2)c2cccnc2c1O.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol?
The InChIKey is FDJYZLKWVHTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-4-13-11-14(12-19-7-9-21-10-8-19)15-5-3-6-18-16(15)17(13)20/h2-3,5-6,11,20H,1,4,7-10,12H2.
What are the key properties of 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol?
5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol has a molecular weight of 284.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol is sourced from PubChem (CID 171541795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).