6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane

C21H20N2O2 — CID 89443300

IUPAC6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESc1ccc(COc2ccc3ncc(N4CC5(COC5)C4)cc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-4-16(5-3-1)11-25-19-6-7-20-17(9-19)8-18(10-22-20)23-12-21(13-23)14-24-15-21/h1-10H,11-15H2
InChIKeyQRKIODFVXWYNIM-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.65
Rot. Bonds4

About 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane

6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 89443300) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID89443300
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESc1ccc(COc2ccc3ncc(N4CC5(COC5)C4)cc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-4-16(5-3-1)11-25-19-6-7-20-17(9-19)8-18(10-22-20)23-12-21(13-23)14-24-15-21/h1-10H,11-15H2
InChIKeyQRKIODFVXWYNIM-UHFFFAOYSA-N
XLogP3.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole
CID 146454151
4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443969
3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443578
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
3-(4-phenylpiperazin-1-yl)quinolin-6-ol
CID 89443600
2-methyl-6-phenylmethoxyquinoline
CID 82580854
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519

Frequently Asked Questions

What is the IUPAC name of 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane (CID 89443300) is 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane is c1ccc(COc2ccc3ncc(N4CC5(COC5)C4)cc3c2)cc1.
What is the InChIKey of 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is QRKIODFVXWYNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-4-16(5-3-1)11-25-19-6-7-20-17(9-19)8-18(10-22-20)23-12-21(13-23)14-24-15-21/h1-10H,11-15H2.
What are the key properties of 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 332.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 89443300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).