4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine

C14H16FIN2 — CID 82577827

IUPAC4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
SMILESCc1cc(CCCCN)c2cc(I)cc(F)c2n1
InChIInChI=1S/C14H16FIN2/c1-9-6-10(4-2-3-5-17)12-7-11(16)8-13(15)14(12)18-9/h6-8H,2-5,17H2,1H3
InChIKeyIJZXARXAVHGONF-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.57
Rot. Bonds4

About 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine

4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine (PubChem CID 82577827) has the molecular formula C14H16FIN2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
PubChem CID82577827
Molecular FormulaC14H16FIN2
Molecular Weight358.20 g/mol
Exact Mass358.03
IUPAC Name4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
SMILESCc1cc(CCCCN)c2cc(I)cc(F)c2n1
InChIInChI=1S/C14H16FIN2/c1-9-6-10(4-2-3-5-17)12-7-11(16)8-13(15)14(12)18-9/h6-8H,2-5,17H2,1H3
InChIKeyIJZXARXAVHGONF-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine?
The IUPAC name of 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine (CID 82577827) is 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine?
The canonical SMILES for 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine is Cc1cc(CCCCN)c2cc(I)cc(F)c2n1.
What is the InChIKey of 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine?
The InChIKey is IJZXARXAVHGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIN2/c1-9-6-10(4-2-3-5-17)12-7-11(16)8-13(15)14(12)18-9/h6-8H,2-5,17H2,1H3.
What are the key properties of 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine?
4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine has a molecular weight of 358.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 82577827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).