6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

C16H20FIN2 — CID 79772075

IUPAC6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(I)cc(F)cc12
InChIInChI=1S/C16H20FIN2/c1-5-6-19-16-12-7-11(17)8-13(18)15(12)20-10(4)14(16)9(2)3/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyPDCSYJQLBQQTKU-UHFFFAOYSA-N
MW386.25 g/mol
LogP5.23
Rot. Bonds4

About 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 79772075) has the molecular formula C16H20FIN2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID79772075
Molecular FormulaC16H20FIN2
Molecular Weight386.25 g/mol
Exact Mass386.07
IUPAC Name6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(I)cc(F)cc12
InChIInChI=1S/C16H20FIN2/c1-5-6-19-16-12-7-11(17)8-13(18)15(12)20-10(4)14(16)9(2)3/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyPDCSYJQLBQQTKU-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 55.23
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 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 79772075) is 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2c(I)cc(F)cc12.
What is the InChIKey of 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is PDCSYJQLBQQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FIN2/c1-5-6-19-16-12-7-11(17)8-13(18)15(12)20-10(4)14(16)9(2)3/h7-9H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 386.25 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 79772075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).