N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C21H27N3O2 — CID 118738786

IUPACN,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)O1
InChIInChI=1S/C21H27N3O2/c1-23(2)20(25)19-9-10-21(26-19)11-13-24(14-12-21)15-17-8-7-16-5-3-4-6-18(16)22-17/h3-8,19H,9-15H2,1-2H3
InChIKeyFDGXZISLYRPXAM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.84
Rot. Bonds3

About N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 118738786) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID118738786
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)O1
InChIInChI=1S/C21H27N3O2/c1-23(2)20(25)19-9-10-21(26-19)11-13-24(14-12-21)15-17-8-7-16-5-3-4-6-18(16)22-17/h3-8,19H,9-15H2,1-2H3
InChIKeyFDGXZISLYRPXAM-UHFFFAOYSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 118738786) is N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)C1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)O1.
What is the InChIKey of N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is FDGXZISLYRPXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)20(25)19-9-10-21(26-19)11-13-24(14-12-21)15-17-8-7-16-5-3-4-6-18(16)22-17/h3-8,19H,9-15H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118738786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).