4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline

C17H20F3N3 — CID 121236577

IUPAC4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
SMILESCCCc1cc(N2CCNCC2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C17H20F3N3/c1-2-4-12-11-15(23-9-7-21-8-10-23)13-5-3-6-14(16(13)22-12)17(18,19)20/h3,5-6,11,21H,2,4,7-10H2,1H3
InChIKeyGVPBUXLYMMUQJX-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.62
Rot. Bonds3

About 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline

4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline (PubChem CID 121236577) has the molecular formula C17H20F3N3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
PubChem CID121236577
Molecular FormulaC17H20F3N3
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
SMILESCCCc1cc(N2CCNCC2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C17H20F3N3/c1-2-4-12-11-15(23-9-7-21-8-10-23)13-5-3-6-14(16(13)22-12)17(18,19)20/h3,5-6,11,21H,2,4,7-10H2,1H3
InChIKeyGVPBUXLYMMUQJX-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
CID 121236574
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride
CID 121237135
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
7-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237211
8-methoxy-2-propyl-4-(trifluoromethyl)quinoline
CID 102107176
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
CID 171686339
4-(1,4-diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline
CID 2774817
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline (CID 121236577) is 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline is CCCc1cc(N2CCNCC2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline?
The InChIKey is GVPBUXLYMMUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3/c1-2-4-12-11-15(23-9-7-21-8-10-23)13-5-3-6-14(16(13)22-12)17(18,19)20/h3,5-6,11,21H,2,4,7-10H2,1H3.
What are the key properties of 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline?
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline has a molecular weight of 323.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 121236577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).