6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline

C16H18F3N3O — CID 59007243

IUPAC6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(N3CCN(C)CC3)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H18F3N3O/c1-21-5-7-22(8-6-21)15-10-13(16(17,18)19)12-9-11(23-2)3-4-14(12)20-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRPLAKHKRYDPZMM-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.01
Rot. Bonds2

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

6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline (PubChem CID 59007243) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline
PubChem CID59007243
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(N3CCN(C)CC3)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H18F3N3O/c1-21-5-7-22(8-6-21)15-10-13(16(17,18)19)12-9-11(23-2)3-4-14(12)20-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRPLAKHKRYDPZMM-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline?
The IUPAC name of 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline (CID 59007243) is 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline?
The canonical SMILES for 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline is COc1ccc2nc(N3CCN(C)CC3)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline?
The InChIKey is RPLAKHKRYDPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-21-5-7-22(8-6-21)15-10-13(16(17,18)19)12-9-11(23-2)3-4-14(12)20-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline?
6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline has a molecular weight of 325.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 59007243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).