3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine

C15H10BrClFN3 — CID 106949035

IUPAC3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2cc(Cl)ccc2F)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrClFN3/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7,21H,19H2
InChIKeyTTXORVFIHFVVNJ-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.12
Rot. Bonds2

About 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine

3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine (PubChem CID 106949035) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
PubChem CID106949035
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC Name3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2cc(Cl)ccc2F)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrClFN3/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7,21H,19H2
InChIKeyTTXORVFIHFVVNJ-UHFFFAOYSA-N
XLogP5.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.12
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-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
4-N-(5-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43555542
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine (CID 106949035) is 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2cc(Cl)ccc2F)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine?
The InChIKey is TTXORVFIHFVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7,21H,19H2.
What are the key properties of 3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine?
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine has a molecular weight of 366.62 g/mol, XLogP of 5.12, 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-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).