[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone

C21H18ClF3N4O2 — CID 24584235

IUPAC[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2c1
InChIInChI=1S/C21H18ClF3N4O2/c1-31-15-3-5-17-13(10-15)2-4-18(27-17)20(30)29-8-6-28(7-9-29)19-16(22)11-14(12-26-19)21(23,24)25/h2-5,10-12H,6-9H2,1H3
InChIKeyAYDQLFGKYUFGDG-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.27
Rot. Bonds3

About [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone (PubChem CID 24584235) has the molecular formula C21H18ClF3N4O2 and a molecular weight of 450.85 g/mol. Its IUPAC name is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone
PubChem CID24584235
Molecular FormulaC21H18ClF3N4O2
Molecular Weight450.85 g/mol
Exact Mass450.11
IUPAC Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2c1
InChIInChI=1S/C21H18ClF3N4O2/c1-31-15-3-5-17-13(10-15)2-4-18(27-17)20(30)29-8-6-28(7-9-29)19-16(22)11-14(12-26-19)21(23,24)25/h2-5,10-12H,6-9H2,1H3
InChIKeyAYDQLFGKYUFGDG-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 31710438
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
(3-bromo-4-methoxyphenyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27826513
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 78781797
(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273807
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone (CID 24584235) is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone is COc1ccc2nc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2c1.
What is the InChIKey of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is AYDQLFGKYUFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2/c1-31-15-3-5-17-13(10-15)2-4-18(27-17)20(30)29-8-6-28(7-9-29)19-16(22)11-14(12-26-19)21(23,24)25/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 450.85 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 24584235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).