3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C20H25N3O2 — CID 56718831

IUPAC3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cccc2ccc(N3CCC4(CCNC(=O)CC4)CC3)nc12
InChIInChI=1S/C20H25N3O2/c1-25-16-4-2-3-15-5-6-17(22-19(15)16)23-13-10-20(11-14-23)8-7-18(24)21-12-9-20/h2-6H,7-14H2,1H3,(H,21,24)
InChIKeyDLNMFNOZFBHJLA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.13
Rot. Bonds2

About 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56718831) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56718831
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cccc2ccc(N3CCC4(CCNC(=O)CC4)CC3)nc12
InChIInChI=1S/C20H25N3O2/c1-25-16-4-2-3-15-5-6-17(22-19(15)16)23-13-10-20(11-14-23)8-7-18(24)21-12-9-20/h2-6H,7-14H2,1H3,(H,21,24)
InChIKeyDLNMFNOZFBHJLA-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56718831) is 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1cccc2ccc(N3CCC4(CCNC(=O)CC4)CC3)nc12.
What is the InChIKey of 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is DLNMFNOZFBHJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-16-4-2-3-15-5-6-17(22-19(15)16)23-13-10-20(11-14-23)8-7-18(24)21-12-9-20/h2-6H,7-14H2,1H3,(H,21,24).
What are the key properties of 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 339.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56718831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).