1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H21F3N4O2 — CID 135110183

IUPAC1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H21F3N4O2/c1-12-10-16(14-5-4-13(20(21,22)23)11-15(14)24-12)27-8-6-19(7-9-27)17(28)25(2)18(29)26(19)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPZOYIWAZFUIECF-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.42
Rot. Bonds1

About 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135110183) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135110183
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H21F3N4O2/c1-12-10-16(14-5-4-13(20(21,22)23)11-15(14)24-12)27-8-6-19(7-9-27)17(28)25(2)18(29)26(19)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPZOYIWAZFUIECF-UHFFFAOYSA-N
XLogP3.42
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 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 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135110183) is 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PZOYIWAZFUIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-12-10-16(14-5-4-13(20(21,22)23)11-15(14)24-12)27-8-6-19(7-9-27)17(28)25(2)18(29)26(19)3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 406.41 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135110183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).