6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline

C17H19F4N3 — CID 133368681

IUPAC6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(C(C)C(F)(F)F)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19F4N3/c1-11-9-16(14-10-13(18)3-4-15(14)22-11)24-7-5-23(6-8-24)12(2)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyFYYSDABJDXCPAM-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.76
Rot. Bonds2

About 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline

6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline (PubChem CID 133368681) has the molecular formula C17H19F4N3 and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
PubChem CID133368681
Molecular FormulaC17H19F4N3
Molecular Weight341.35 g/mol
Exact Mass341.15
IUPAC Name6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(C(C)C(F)(F)F)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19F4N3/c1-11-9-16(14-10-13(18)3-4-15(14)22-11)24-7-5-23(6-8-24)12(2)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyFYYSDABJDXCPAM-UHFFFAOYSA-N
XLogP3.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
5-[4-(6-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368174
6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
CID 133369112
3-ethyl-5-[4-(6-fluoro-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133368413
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
CID 7006504
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-phenylthiourea
CID 118729694
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
4-(6-fluoro-2-methylquinolin-4-yl)-2-(furan-2-yl)morpholine
CID 133368875

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline (CID 133368681) is 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline is Cc1cc(N2CCN(C(C)C(F)(F)F)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline?
The InChIKey is FYYSDABJDXCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3/c1-11-9-16(14-10-13(18)3-4-15(14)22-11)24-7-5-23(6-8-24)12(2)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline?
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline has a molecular weight of 341.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133368681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).