4-butyl-3-fluoro-2-iodoquinoline

C13H13FIN — CID 11348043

IUPAC4-butyl-3-fluoro-2-iodoquinoline
SMILESCCCCc1c(F)c(I)nc2ccccc12
InChIInChI=1S/C13H13FIN/c1-2-3-6-10-9-7-4-5-8-11(9)16-13(15)12(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDQNVIFCNWBOSOS-UHFFFAOYSA-N
MW329.16 g/mol
LogP4.32
Rot. Bonds3

About 4-butyl-3-fluoro-2-iodoquinoline

4-butyl-3-fluoro-2-iodoquinoline (PubChem CID 11348043) has the molecular formula C13H13FIN and a molecular weight of 329.16 g/mol. Its IUPAC name is 4-butyl-3-fluoro-2-iodoquinoline.

Molecular Properties

Compound Name4-butyl-3-fluoro-2-iodoquinoline
PubChem CID11348043
Molecular FormulaC13H13FIN
Molecular Weight329.16 g/mol
Exact Mass329.01
IUPAC Name4-butyl-3-fluoro-2-iodoquinoline
SMILESCCCCc1c(F)c(I)nc2ccccc12
InChIInChI=1S/C13H13FIN/c1-2-3-6-10-9-7-4-5-8-11(9)16-13(15)12(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDQNVIFCNWBOSOS-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9-butylacridine
CID 606127
4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline
CID 11243070
9,10-dibutylanthracene
CID 605822
4-butyl-3-methylquinoline
CID 153439340
[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane
CID 162621570
9-(8-acridin-9-yloctyl)acridine
CID 10504492
3-bromo-4-hexylquinoline
CID 134275854
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
9-butyl-10-methylanthracene
CID 22754688
2,3-dibutylquinoxaline
CID 14641798
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258
4-butyl-3-(4-fluorophenyl)-1-methylisoquinoline
CID 71619397

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-fluoro-2-iodoquinoline?
The IUPAC name of 4-butyl-3-fluoro-2-iodoquinoline (CID 11348043) is 4-butyl-3-fluoro-2-iodoquinoline.
What is the SMILES notation for 4-butyl-3-fluoro-2-iodoquinoline?
The canonical SMILES for 4-butyl-3-fluoro-2-iodoquinoline is CCCCc1c(F)c(I)nc2ccccc12.
What is the InChIKey of 4-butyl-3-fluoro-2-iodoquinoline?
The InChIKey is DQNVIFCNWBOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN/c1-2-3-6-10-9-7-4-5-8-11(9)16-13(15)12(10)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-butyl-3-fluoro-2-iodoquinoline?
4-butyl-3-fluoro-2-iodoquinoline has a molecular weight of 329.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-fluoro-2-iodoquinoline is sourced from PubChem (CID 11348043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).