2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine

C15H10BrF2N3 — CID 116783079

IUPAC2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H10BrF2N3/c16-9-6-8-2-1-3-12(14(8)20-7-9)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2
InChIKeyLMMXYIMUHVBRQP-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.60
Rot. Bonds2

About 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine

2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 116783079) has the molecular formula C15H10BrF2N3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
PubChem CID116783079
Molecular FormulaC15H10BrF2N3
Molecular Weight350.17 g/mol
Exact Mass349.00
IUPAC Name2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H10BrF2N3/c16-9-6-8-2-1-3-12(14(8)20-7-9)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2
InChIKeyLMMXYIMUHVBRQP-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

4-bromo-1-N-(3-bromoquinolin-8-yl)-5-fluorobenzene-1,2-diamine
CID 116783114
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
4-N-(3-bromoquinolin-8-yl)pyrimidine-4,5-diamine
CID 116783115
3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
CID 116783110
3-bromo-N-phenylquinolin-8-amine
CID 86754991
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
1-N-(3-bromoquinolin-8-yl)-4-methylbenzene-1,3-diamine
CID 116783104
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
4-N-(3-bromoquinolin-8-yl)-6-chloropyrimidine-4,5-diamine
CID 116783130
5-[(3-bromoquinolin-8-yl)amino]pyrazine-2-carbothioamide
CID 116784609
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine (CID 116783079) is 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine is Nc1ccc(F)c(F)c1Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is LMMXYIMUHVBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3/c16-9-6-8-2-1-3-12(14(8)20-7-9)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2.
What are the key properties of 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-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 2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 116783079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).