4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline

C20H16F6N4 — CID 171686339

IUPAC4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)15-3-1-2-13-14(11-16(20(24,25)26)29-18(13)15)12-4-5-28-17(10-12)30-8-6-27-7-9-30/h1-5,10-11,27H,6-9H2
InChIKeyBCGQSCQBDOWSRW-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.74
Rot. Bonds2

About 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline

4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline (PubChem CID 171686339) has the molecular formula C20H16F6N4 and a molecular weight of 426.36 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
PubChem CID171686339
Molecular FormulaC20H16F6N4
Molecular Weight426.36 g/mol
Exact Mass426.13
IUPAC Name4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)15-3-1-2-13-14(11-16(20(24,25)26)29-18(13)15)12-4-5-28-17(10-12)30-8-6-27-7-9-30/h1-5,10-11,27H,6-9H2
InChIKeyBCGQSCQBDOWSRW-UHFFFAOYSA-N
XLogP4.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354
4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686350
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
CID 171686337
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
4-(1,4-diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline
CID 2774817
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
bis[3-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyridinyl]methanone
CID 3015810
6-methoxy-2-methyl-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686344
(4aR,10bR)-8-[2,8-bis(trifluoromethyl)quinolin-4-yl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54475496

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline (CID 171686339) is 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline is FC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is BCGQSCQBDOWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4/c21-19(22,23)15-3-1-2-13-14(11-16(20(24,25)26)29-18(13)15)12-4-5-28-17(10-12)30-8-6-27-7-9-30/h1-5,10-11,27H,6-9H2.
What are the key properties of 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline?
4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 426.36 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 171686339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).