3-bromo-4-hexylquinoline

C15H18BrN — CID 134275854

IUPAC3-bromo-4-hexylquinoline
SMILESCCCCCCc1c(Br)cnc2ccccc12
InChIInChI=1S/C15H18BrN/c1-2-3-4-5-8-12-13-9-6-7-10-15(13)17-11-14(12)16/h6-7,9-11H,2-5,8H2,1H3
InChIKeyZDBOMRAYUNZORL-UHFFFAOYSA-N
MW292.22 g/mol
LogP5.12
Rot. Bonds5

About 3-bromo-4-hexylquinoline

3-bromo-4-hexylquinoline (PubChem CID 134275854) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-bromo-4-hexylquinoline.

Molecular Properties

Compound Name3-bromo-4-hexylquinoline
PubChem CID134275854
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name3-bromo-4-hexylquinoline
SMILESCCCCCCc1c(Br)cnc2ccccc12
InChIInChI=1S/C15H18BrN/c1-2-3-4-5-8-12-13-9-6-7-10-15(13)17-11-14(12)16/h6-7,9-11H,2-5,8H2,1H3
InChIKeyZDBOMRAYUNZORL-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-3-methylquinoline
CID 153439340
4-pentyl-3-pentylsulfonylquinoline
CID 68571219
9-butylacridine
CID 606127
9-bromo-10-hexylanthracene
CID 141284839
9-(8-acridin-9-yloctyl)acridine
CID 10504492
3-dodecylnaphthalene-1,2,4-triol
CID 14672775
3-butyl-4-methylquinoline
CID 153439338
10-octylanthracen-9-amine
CID 87887624
9,10-dibutylanthracene
CID 605822
2-tetradecylquinoxaline
CID 21024312
2-octylquinoxaline
CID 141276580
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hexylquinoline?
The IUPAC name of 3-bromo-4-hexylquinoline (CID 134275854) is 3-bromo-4-hexylquinoline.
What is the SMILES notation for 3-bromo-4-hexylquinoline?
The canonical SMILES for 3-bromo-4-hexylquinoline is CCCCCCc1c(Br)cnc2ccccc12.
What is the InChIKey of 3-bromo-4-hexylquinoline?
The InChIKey is ZDBOMRAYUNZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-2-3-4-5-8-12-13-9-6-7-10-15(13)17-11-14(12)16/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 3-bromo-4-hexylquinoline?
3-bromo-4-hexylquinoline has a molecular weight of 292.22 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hexylquinoline is sourced from PubChem (CID 134275854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).