8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine

C13H12F3IN2 — CID 55194221

IUPAC8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(I)cccc12
InChIInChI=1S/C13H12F3IN2/c1-2-6-18-10-7-11(13(14,15)16)19-12-8(10)4-3-5-9(12)17/h3-5,7H,2,6H2,1H3,(H,18,19)
InChIKeyJFNFCXNVIYKEGD-UHFFFAOYSA-N
MW380.15 g/mol
LogP4.68
Rot. Bonds3

About 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine

8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55194221) has the molecular formula C13H12F3IN2 and a molecular weight of 380.15 g/mol. Its IUPAC name is 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55194221
Molecular FormulaC13H12F3IN2
Molecular Weight380.15 g/mol
Exact Mass380.00
IUPAC Name8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(I)cccc12
InChIInChI=1S/C13H12F3IN2/c1-2-6-18-10-7-11(13(14,15)16)19-12-8(10)4-3-5-9(12)17/h3-5,7H,2,6H2,1H3,(H,18,19)
InChIKeyJFNFCXNVIYKEGD-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 55194221) is 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1cc(C(F)(F)F)nc2c(I)cccc12.
What is the InChIKey of 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JFNFCXNVIYKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3IN2/c1-2-6-18-10-7-11(13(14,15)16)19-12-8(10)4-3-5-9(12)17/h3-5,7H,2,6H2,1H3,(H,18,19).
What are the key properties of 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 380.15 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55194221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).