4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C22H17F3N4O4S — CID 151285669

IUPAC4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCC1CC12C(=O)N(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N2c1ccnc2c(N)cccc12
InChIInChI=1S/C22H17F3N4O4S/c1-12-11-21(12)19(30)28(13-5-7-14(8-6-13)34(32,33)22(23,24)25)20(31)29(21)17-9-10-27-18-15(17)3-2-4-16(18)26/h2-10,12H,11,26H2,1H3
InChIKeyNZIIACYHNHCDOH-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.86
Rot. Bonds3

About 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 151285669) has the molecular formula C22H17F3N4O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID151285669
Molecular FormulaC22H17F3N4O4S
Molecular Weight490.46 g/mol
Exact Mass490.09
IUPAC Name4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCC1CC12C(=O)N(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N2c1ccnc2c(N)cccc12
InChIInChI=1S/C22H17F3N4O4S/c1-12-11-21(12)19(30)28(13-5-7-14(8-6-13)34(32,33)22(23,24)25)20(31)29(21)17-9-10-27-18-15(17)3-2-4-16(18)26/h2-10,12H,11,26H2,1H3
InChIKeyNZIIACYHNHCDOH-UHFFFAOYSA-N
XLogP3.86
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(5-piperidin-1-ylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 151736075
4-(2-fluoro-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 152622890
4-(3-methoxy-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150691156
2-methyl-4-(2-propan-2-yl-4-pyridinyl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150241203
4-[2-(dimethylamino)quinolin-4-yl]-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150120724
4-(3-benzyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 151720188
2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 151531546
4-[3-(diethylamino)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150742306
N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzenesulfonamide
CID 152511869
N'-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-3-pyridinyl]benzohydrazide
CID 151229251
propan-2-yl N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]carbamate
CID 158240716
4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinolin-8-amine
CID 141097407

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 151285669) is 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is CC1CC12C(=O)N(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N2c1ccnc2c(N)cccc12.
What is the InChIKey of 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is NZIIACYHNHCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S/c1-12-11-21(12)19(30)28(13-5-7-14(8-6-13)34(32,33)22(23,24)25)20(31)29(21)17-9-10-27-18-15(17)3-2-4-16(18)26/h2-10,12H,11,26H2,1H3.
What are the key properties of 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 490.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 151285669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).