3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine

C15H10BrF2N3 — CID 106948962

IUPAC3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(F)c(F)c2)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrF2N3/c16-8-5-10-13(19)3-4-14(15(10)20-7-8)21-9-1-2-11(17)12(18)6-9/h1-7,21H,19H2
InChIKeyIKOFXZAOJJSTHH-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.60
Rot. Bonds2

About 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine

3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine (PubChem CID 106948962) has the molecular formula C15H10BrF2N3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
PubChem CID106948962
Molecular FormulaC15H10BrF2N3
Molecular Weight350.17 g/mol
Exact Mass349.00
IUPAC Name3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(F)c(F)c2)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrF2N3/c16-8-5-10-13(19)3-4-14(15(10)20-7-8)21-9-1-2-11(17)12(18)6-9/h1-7,21H,19H2
InChIKeyIKOFXZAOJJSTHH-UHFFFAOYSA-N
XLogP4.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 54.60
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

3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine (CID 106948962) is 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2ccc(F)c(F)c2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine?
The InChIKey is IKOFXZAOJJSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3/c16-8-5-10-13(19)3-4-14(15(10)20-7-8)21-9-1-2-11(17)12(18)6-9/h1-7,21H,19H2.
What are the key properties of 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine?
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine has a molecular weight of 350.17 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 106948962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).