7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

C23H24F3N3O3 — CID 56559881

IUPAC7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H24F3N3O3/c1-22(2)12-18-16(19(30)13-22)11-17(20(31)27-18)21(32)29-8-6-28(7-9-29)15-5-3-4-14(10-15)23(24,25)26/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,27,31)
InChIKeyBEWVIXPNAJHARN-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.51
Rot. Bonds2

About 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 56559881) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID56559881
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H24F3N3O3/c1-22(2)12-18-16(19(30)13-22)11-17(20(31)27-18)21(32)29-8-6-28(7-9-29)15-5-3-4-14(10-15)23(24,25)26/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,27,31)
InChIKeyBEWVIXPNAJHARN-UHFFFAOYSA-N
XLogP3.51
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
7,7-dimethyl-3-(2,2,3,3-tetramethylazetidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 71925205
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38027512
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one
CID 2090673
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 112810065
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
CID 120736535
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (CID 56559881) is 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is BEWVIXPNAJHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-22(2)12-18-16(19(30)13-22)11-17(20(31)27-18)21(32)29-8-6-28(7-9-29)15-5-3-4-14(10-15)23(24,25)26/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,27,31).
What are the key properties of 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 447.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 56559881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).