5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine

C12H11Cl3N2 — CID 82581254

IUPAC5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine
SMILESCc1cc(N(C)C)c2c(Cl)c(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H11Cl3N2/c1-6-4-9(17(2)3)10-11(15)7(13)5-8(14)12(10)16-6/h4-5H,1-3H3
InChIKeyNKWGDEFUAFFJCS-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.57
Rot. Bonds1

About 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine

5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine (PubChem CID 82581254) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine.

Molecular Properties

Compound Name5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine
PubChem CID82581254
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine
SMILESCc1cc(N(C)C)c2c(Cl)c(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H11Cl3N2/c1-6-4-9(17(2)3)10-11(15)7(13)5-8(14)12(10)16-6/h4-5H,1-3H3
InChIKeyNKWGDEFUAFFJCS-UHFFFAOYSA-N
XLogP4.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
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-N,N,2-trimethylquinolin-4-amine?
The IUPAC name of 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine (CID 82581254) is 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine.
What is the SMILES notation for 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine?
The canonical SMILES for 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine is Cc1cc(N(C)C)c2c(Cl)c(Cl)cc(Cl)c2n1.
What is the InChIKey of 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine?
The InChIKey is NKWGDEFUAFFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2/c1-6-4-9(17(2)3)10-11(15)7(13)5-8(14)12(10)16-6/h4-5H,1-3H3.
What are the key properties of 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine?
5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine has a molecular weight of 289.59 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trichloro-N,N,2-trimethylquinolin-4-amine is sourced from PubChem (CID 82581254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).