7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline

C19H15Cl2F3N4 — CID 170974269

IUPAC7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc(Cl)n1
InChIInChI=1S/C19H15Cl2F3N4/c20-12-1-2-14-15(9-12)25-4-3-16(14)28-7-5-27(6-8-28)13-10-17(19(22,23)24)26-18(21)11-13/h1-4,9-11H,5-8H2
InChIKeySMBQJGDKBOINRB-UHFFFAOYSA-N
MW427.26 g/mol
LogP5.28
Rot. Bonds2

About 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline

7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline (PubChem CID 170974269) has the molecular formula C19H15Cl2F3N4 and a molecular weight of 427.26 g/mol. Its IUPAC name is 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline
PubChem CID170974269
Molecular FormulaC19H15Cl2F3N4
Molecular Weight427.26 g/mol
Exact Mass426.06
IUPAC Name7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc(Cl)n1
InChIInChI=1S/C19H15Cl2F3N4/c20-12-1-2-14-15(9-12)25-4-3-16(14)28-7-5-27(6-8-28)13-10-17(19(22,23)24)26-18(21)11-13/h1-4,9-11H,5-8H2
InChIKeySMBQJGDKBOINRB-UHFFFAOYSA-N
XLogP5.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(2,6-difluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974361
buta-1,3-diene;4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974284
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
CID 133401314
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline (CID 170974269) is 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline is FC(F)(F)c1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc(Cl)n1.
What is the InChIKey of 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline?
The InChIKey is SMBQJGDKBOINRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4/c20-12-1-2-14-15(9-12)25-4-3-16(14)28-7-5-27(6-8-28)13-10-17(19(22,23)24)26-18(21)11-13/h1-4,9-11H,5-8H2.
What are the key properties of 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline?
7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline has a molecular weight of 427.26 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 170974269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).