4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one

C23H32N4O2 — CID 11429390

IUPAC4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CNC23CCCCC3)c2ncccc2c1
InChIInChI=1S/C23H32N4O2/c1-17(26-20-15-19(29-2)14-18-9-6-12-24-22(18)20)8-7-13-27-21(28)16-25-23(27)10-4-3-5-11-23/h6,9,12,14-15,17,25-26H,3-5,7-8,10-11,13,16H2,1-2H3
InChIKeyINJGTZHOALCVJX-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.92
Rot. Bonds7

About 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one

4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one (PubChem CID 11429390) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one
PubChem CID11429390
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CNC23CCCCC3)c2ncccc2c1
InChIInChI=1S/C23H32N4O2/c1-17(26-20-15-19(29-2)14-18-9-6-12-24-22(18)20)8-7-13-27-21(28)16-25-23(27)10-4-3-5-11-23/h6,9,12,14-15,17,25-26H,3-5,7-8,10-11,13,16H2,1-2H3
InChIKeyINJGTZHOALCVJX-UHFFFAOYSA-N
XLogP3.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one (CID 11429390) is 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one is COc1cc(NC(C)CCCN2C(=O)CNC23CCCCC3)c2ncccc2c1.
What is the InChIKey of 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one?
The InChIKey is INJGTZHOALCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(26-20-15-19(29-2)14-18-9-6-12-24-22(18)20)8-7-13-27-21(28)16-25-23(27)10-4-3-5-11-23/h6,9,12,14-15,17,25-26H,3-5,7-8,10-11,13,16H2,1-2H3.
What are the key properties of 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one?
4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one has a molecular weight of 396.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 11429390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).