4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline

C16H15F6N3 — CID 21029579

IUPAC4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
SMILESCN1CCN(c2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C16H15F6N3/c1-24-4-6-25(7-5-24)13-9-14(16(20,21)22)23-12-3-2-10(8-11(12)13)15(17,18)19/h2-3,8-9H,4-7H2,1H3
InChIKeyULVKJJALEIZXHF-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.02
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline

4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline (PubChem CID 21029579) has the molecular formula C16H15F6N3 and a molecular weight of 363.31 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
PubChem CID21029579
Molecular FormulaC16H15F6N3
Molecular Weight363.31 g/mol
Exact Mass363.12
IUPAC Name4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
SMILESCN1CCN(c2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C16H15F6N3/c1-24-4-6-25(7-5-24)13-9-14(16(20,21)22)23-12-3-2-10(8-11(12)13)15(17,18)19/h2-3,8-9H,4-7H2,1H3
InChIKeyULVKJJALEIZXHF-UHFFFAOYSA-N
XLogP4.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline (CID 21029579) is 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline is CN1CCN(c2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The InChIKey is ULVKJJALEIZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3/c1-24-4-6-25(7-5-24)13-9-14(16(20,21)22)23-12-3-2-10(8-11(12)13)15(17,18)19/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline?
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline has a molecular weight of 363.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 21029579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).