8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine

C16H13BrFN3 — CID 83163885

IUPAC8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
SMILESCc1cc(Br)ccc1Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H13BrFN3/c1-9-7-10(17)4-5-14(9)21-16-12(18)8-13(19)11-3-2-6-20-15(11)16/h2-8,21H,19H2,1H3
InChIKeyJAXQGWWLGDPHSA-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.77
Rot. Bonds2

About 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine

8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine (PubChem CID 83163885) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
PubChem CID83163885
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
SMILESCc1cc(Br)ccc1Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H13BrFN3/c1-9-7-10(17)4-5-14(9)21-16-12(18)8-13(19)11-3-2-6-20-15(11)16/h2-8,21H,19H2,1H3
InChIKeyJAXQGWWLGDPHSA-UHFFFAOYSA-N
XLogP4.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
8-N-(5-chloro-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163913
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine
CID 83174234
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine (CID 83163885) is 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine is Cc1cc(Br)ccc1Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine?
The InChIKey is JAXQGWWLGDPHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-9-7-10(17)4-5-14(9)21-16-12(18)8-13(19)11-3-2-6-20-15(11)16/h2-8,21H,19H2,1H3.
What are the key properties of 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine?
8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine has a molecular weight of 346.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).