4-fluoro-6-iodo-8-propan-2-ylquinoline

C12H11FIN — CID 58152031

IUPAC4-fluoro-6-iodo-8-propan-2-ylquinoline
SMILESCC(C)c1cc(I)cc2c(F)ccnc12
InChIInChI=1S/C12H11FIN/c1-7(2)9-5-8(14)6-10-11(13)3-4-15-12(9)10/h3-7H,1-2H3
InChIKeyHQTBQCQKGJOSTR-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.10
Rot. Bonds1

About 4-fluoro-6-iodo-8-propan-2-ylquinoline

4-fluoro-6-iodo-8-propan-2-ylquinoline (PubChem CID 58152031) has the molecular formula C12H11FIN and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-fluoro-6-iodo-8-propan-2-ylquinoline.

Molecular Properties

Compound Name4-fluoro-6-iodo-8-propan-2-ylquinoline
PubChem CID58152031
Molecular FormulaC12H11FIN
Molecular Weight315.13 g/mol
Exact Mass314.99
IUPAC Name4-fluoro-6-iodo-8-propan-2-ylquinoline
SMILESCC(C)c1cc(I)cc2c(F)ccnc12
InChIInChI=1S/C12H11FIN/c1-7(2)9-5-8(14)6-10-11(13)3-4-15-12(9)10/h3-7H,1-2H3
InChIKeyHQTBQCQKGJOSTR-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-iodo-8-propan-2-ylquinoline?
The IUPAC name of 4-fluoro-6-iodo-8-propan-2-ylquinoline (CID 58152031) is 4-fluoro-6-iodo-8-propan-2-ylquinoline.
What is the SMILES notation for 4-fluoro-6-iodo-8-propan-2-ylquinoline?
The canonical SMILES for 4-fluoro-6-iodo-8-propan-2-ylquinoline is CC(C)c1cc(I)cc2c(F)ccnc12.
What is the InChIKey of 4-fluoro-6-iodo-8-propan-2-ylquinoline?
The InChIKey is HQTBQCQKGJOSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN/c1-7(2)9-5-8(14)6-10-11(13)3-4-15-12(9)10/h3-7H,1-2H3.
What are the key properties of 4-fluoro-6-iodo-8-propan-2-ylquinoline?
4-fluoro-6-iodo-8-propan-2-ylquinoline has a molecular weight of 315.13 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-iodo-8-propan-2-ylquinoline is sourced from PubChem (CID 58152031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).