8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione

C23H33N3O2 — CID 14835936

IUPAC8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1CCc2cccnc2C1
InChIInChI=1S/C23H33N3O2/c1-25(19-9-8-18-7-6-12-24-20(18)15-19)13-4-5-14-26-21(27)16-23(17-22(26)28)10-2-3-11-23/h6-7,12,19H,2-5,8-11,13-17H2,1H3
InChIKeyUCPCNLWXGRYMOS-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.36
Rot. Bonds6

About 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 14835936) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID14835936
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1CCc2cccnc2C1
InChIInChI=1S/C23H33N3O2/c1-25(19-9-8-18-7-6-12-24-20(18)15-19)13-4-5-14-26-21(27)16-23(17-22(26)28)10-2-3-11-23/h6-7,12,19H,2-5,8-11,13-17H2,1H3
InChIKeyUCPCNLWXGRYMOS-UHFFFAOYSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 14835936) is 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is CN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1CCc2cccnc2C1.
What is the InChIKey of 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is UCPCNLWXGRYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-25(19-9-8-18-7-6-12-24-20(18)15-19)13-4-5-14-26-21(27)16-23(17-22(26)28)10-2-3-11-23/h6-7,12,19H,2-5,8-11,13-17H2,1H3.
What are the key properties of 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 383.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 14835936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).