5,6,8-trichloro-2-propylquinolin-4-amine

C12H11Cl3N2 — CID 63481244

IUPAC5,6,8-trichloro-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H11Cl3N2/c1-2-3-6-4-9(16)10-11(15)7(13)5-8(14)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyFYOSZXKFTVYJSX-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.73
Rot. Bonds2

About 5,6,8-trichloro-2-propylquinolin-4-amine

5,6,8-trichloro-2-propylquinolin-4-amine (PubChem CID 63481244) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 5,6,8-trichloro-2-propylquinolin-4-amine.

Molecular Properties

Compound Name5,6,8-trichloro-2-propylquinolin-4-amine
PubChem CID63481244
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name5,6,8-trichloro-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H11Cl3N2/c1-2-3-6-4-9(16)10-11(15)7(13)5-8(14)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyFYOSZXKFTVYJSX-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trichloro-2-propylquinolin-4-amine?
The IUPAC name of 5,6,8-trichloro-2-propylquinolin-4-amine (CID 63481244) is 5,6,8-trichloro-2-propylquinolin-4-amine.
What is the SMILES notation for 5,6,8-trichloro-2-propylquinolin-4-amine?
The canonical SMILES for 5,6,8-trichloro-2-propylquinolin-4-amine is CCCc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2n1.
What is the InChIKey of 5,6,8-trichloro-2-propylquinolin-4-amine?
The InChIKey is FYOSZXKFTVYJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2/c1-2-3-6-4-9(16)10-11(15)7(13)5-8(14)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17).
What are the key properties of 5,6,8-trichloro-2-propylquinolin-4-amine?
5,6,8-trichloro-2-propylquinolin-4-amine has a molecular weight of 289.59 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trichloro-2-propylquinolin-4-amine is sourced from PubChem (CID 63481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).