(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C21H26N2O2 — CID 70742301

IUPAC(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCOC4(CCCC4)C3)c2c1
InChIInChI=1S/C21H26N2O2/c1-3-16-6-7-19-17(13-16)18(12-15(2)22-19)20(24)23-10-11-25-21(14-23)8-4-5-9-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKeyNPKVERDFIAKUJU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds2

About (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 70742301) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID70742301
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCOC4(CCCC4)C3)c2c1
InChIInChI=1S/C21H26N2O2/c1-3-16-6-7-19-17(13-16)18(12-15(2)22-19)20(24)23-10-11-25-21(14-23)8-4-5-9-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKeyNPKVERDFIAKUJU-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 70742301) is (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is CCc1ccc2nc(C)cc(C(=O)N3CCOC4(CCCC4)C3)c2c1.
What is the InChIKey of (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is NPKVERDFIAKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-6-7-19-17(13-16)18(12-15(2)22-19)20(24)23-10-11-25-21(14-23)8-4-5-9-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3.
What are the key properties of (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 70742301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).