2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C23H18F3N3O4S — CID 151531546

IUPAC2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C
InChIInChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3
InChIKeyPWOUSMJHBTWQFJ-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.59
Rot. Bonds3

About 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 151531546) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID151531546
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC Name2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C
InChIInChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3
InChIKeyPWOUSMJHBTWQFJ-UHFFFAOYSA-N
XLogP4.59
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(dimethylamino)quinolin-4-yl]-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150120724
4-(2-fluoro-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 152622890
4-(8-aminoquinolin-4-yl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 151285669
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-(3-benzyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 151720188
N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzenesulfonamide
CID 152511869
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-[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]-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-(quinolin-4-ylmethyl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 10031305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 151531546) is 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is Cc1cnc2ccccc2c1N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C12CC2C.
What is the InChIKey of 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is PWOUSMJHBTWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c1-13-12-27-18-6-4-3-5-17(18)19(13)29-21(31)28(20(30)22(29)11-14(22)2)15-7-9-16(10-8-15)34(32,33)23(24,25)26/h3-10,12,14H,11H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 489.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylquinolin-4-yl)-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 151531546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).