7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine

C10H7BrClFN2 — CID 125426292

IUPAC7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
SMILESCc1cnc2c(N)c(Br)c(F)cc2c1Cl
InChIInChI=1S/C10H7BrClFN2/c1-4-3-15-10-5(8(4)12)2-6(13)7(11)9(10)14/h2-3H,14H2,1H3
InChIKeyUSNDGEANQDYMIS-UHFFFAOYSA-N
MW289.54 g/mol
LogP3.68
Rot. Bonds

About 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine

7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine (PubChem CID 125426292) has the molecular formula C10H7BrClFN2 and a molecular weight of 289.54 g/mol. Its IUPAC name is 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
PubChem CID125426292
Molecular FormulaC10H7BrClFN2
Molecular Weight289.54 g/mol
Exact Mass287.95
IUPAC Name7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
SMILESCc1cnc2c(N)c(Br)c(F)cc2c1Cl
InChIInChI=1S/C10H7BrClFN2/c1-4-3-15-10-5(8(4)12)2-6(13)7(11)9(10)14/h2-3H,14H2,1H3
InChIKeyUSNDGEANQDYMIS-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine?
The IUPAC name of 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine (CID 125426292) is 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine.
What is the SMILES notation for 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine?
The canonical SMILES for 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine is Cc1cnc2c(N)c(Br)c(F)cc2c1Cl.
What is the InChIKey of 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine?
The InChIKey is USNDGEANQDYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2/c1-4-3-15-10-5(8(4)12)2-6(13)7(11)9(10)14/h2-3H,14H2,1H3.
What are the key properties of 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine?
7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine has a molecular weight of 289.54 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine is sourced from PubChem (CID 125426292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).