7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline

C19H15F6N5 — CID 133401314

IUPAC7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1ccc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ccnc2c1
InChIInChI=1S/C19H15F6N5/c20-18(21,22)12-1-2-13-14(11-12)26-5-3-15(13)29-7-9-30(10-8-29)17-27-6-4-16(28-17)19(23,24)25/h1-6,11H,7-10H2
InChIKeyXNOCVWVFIBAFEQ-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.39
Rot. Bonds2

About 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline

7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline (PubChem CID 133401314) has the molecular formula C19H15F6N5 and a molecular weight of 427.35 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
PubChem CID133401314
Molecular FormulaC19H15F6N5
Molecular Weight427.35 g/mol
Exact Mass427.12
IUPAC Name7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1ccc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ccnc2c1
InChIInChI=1S/C19H15F6N5/c20-18(21,22)12-1-2-13-14(11-12)26-5-3-15(13)29-7-9-30(10-8-29)17-27-6-4-16(28-17)19(23,24)25/h1-6,11H,7-10H2
InChIKeyXNOCVWVFIBAFEQ-UHFFFAOYSA-N
XLogP4.39
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline 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-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 133412182
(3-hydroxyphenyl)-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 133400999
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
1-(3-methyl-4-pyridinyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 72881421
5-fluoro-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzonitrile
CID 171334434
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
CID 154575895
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline
CID 170974269
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 171996126
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
5-cyclopropyl-3-[[4-[7-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133401435

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline?
The IUPAC name of 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline (CID 133401314) is 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline.
What is the SMILES notation for 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline?
The canonical SMILES for 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline is FC(F)(F)c1ccc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ccnc2c1.
What is the InChIKey of 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline?
The InChIKey is XNOCVWVFIBAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5/c20-18(21,22)12-1-2-13-14(11-12)26-5-3-15(13)29-7-9-30(10-8-29)17-27-6-4-16(28-17)19(23,24)25/h1-6,11H,7-10H2.
What are the key properties of 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline?
7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline has a molecular weight of 427.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline is sourced from PubChem (CID 133401314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).