(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

C26H30N4O — CID 92606807

IUPAC(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCN(C)c1nc2ccccc2cc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1
InChIInChI=1S/C26H30N4O/c1-29(2)25-21(15-20-11-6-7-12-23(20)27-25)16-30-17-22(19-9-4-3-5-10-19)26(18-30)14-8-13-24(31)28-26/h3-7,9-12,15,22H,8,13-14,16-18H2,1-2H3,(H,28,31)/t22-,26+/m0/s1
InChIKeyTYMTVGURBVEZLM-BKMJKUGQSA-N
MW414.55 g/mol
LogP3.94
Rot. Bonds4

About (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92606807) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92606807
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCN(C)c1nc2ccccc2cc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1
InChIInChI=1S/C26H30N4O/c1-29(2)25-21(15-20-11-6-7-12-23(20)27-25)16-30-17-22(19-9-4-3-5-10-19)26(18-30)14-8-13-24(31)28-26/h3-7,9-12,15,22H,8,13-14,16-18H2,1-2H3,(H,28,31)/t22-,26+/m0/s1
InChIKeyTYMTVGURBVEZLM-BKMJKUGQSA-N
XLogP3.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (CID 92606807) is (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is CN(C)c1nc2ccccc2cc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1.
What is the InChIKey of (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is TYMTVGURBVEZLM-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H30N4O/c1-29(2)25-21(15-20-11-6-7-12-23(20)27-25)16-30-17-22(19-9-4-3-5-10-19)26(18-30)14-8-13-24(31)28-26/h3-7,9-12,15,22H,8,13-14,16-18H2,1-2H3,(H,28,31)/t22-,26+/m0/s1.
What are the key properties of (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 414.55 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92606807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).