4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol

C22H22N2O4 — CID 74419409

IUPAC4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCc2cnc3ccccc3c2)C2COC(O2)C1Oc1ccccc1
InChIInChI=1S/C22H22N2O4/c25-20-19(24-12-14-10-15-6-4-5-9-17(15)23-11-14)18-13-26-22(28-18)21(20)27-16-7-2-1-3-8-16/h1-11,18-22,24-25H,12-13H2
InChIKeyMNPVQXBKZKZFSV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.26
Rot. Bonds5

About 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol

4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 74419409) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID74419409
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCc2cnc3ccccc3c2)C2COC(O2)C1Oc1ccccc1
InChIInChI=1S/C22H22N2O4/c25-20-19(24-12-14-10-15-6-4-5-9-17(15)23-11-14)18-13-26-22(28-18)21(20)27-16-7-2-1-3-8-16/h1-11,18-22,24-25H,12-13H2
InChIKeyMNPVQXBKZKZFSV-UHFFFAOYSA-N
XLogP2.26
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 74419409) is 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol is OC1C(NCc2cnc3ccccc3c2)C2COC(O2)C1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is MNPVQXBKZKZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20-19(24-12-14-10-15-6-4-5-9-17(15)23-11-14)18-13-26-22(28-18)21(20)27-16-7-2-1-3-8-16/h1-11,18-22,24-25H,12-13H2.
What are the key properties of 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 378.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 74419409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).