N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine

C16H14BrFN4 — CID 166382318

IUPACN'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESFc1ccc(NCCNc2ccc3ccc(Br)cc3n2)nc1
InChIInChI=1S/C16H14BrFN4/c17-12-3-1-11-2-5-16(22-14(11)9-12)20-8-7-19-15-6-4-13(18)10-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyYXHZXSNEPFFBJN-UHFFFAOYSA-N
MW361.22 g/mol
LogP4.06
Rot. Bonds5

About N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine

N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 166382318) has the molecular formula C16H14BrFN4 and a molecular weight of 361.22 g/mol. Its IUPAC name is N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
PubChem CID166382318
Molecular FormulaC16H14BrFN4
Molecular Weight361.22 g/mol
Exact Mass360.04
IUPAC NameN'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESFc1ccc(NCCNc2ccc3ccc(Br)cc3n2)nc1
InChIInChI=1S/C16H14BrFN4/c17-12-3-1-11-2-5-16(22-14(11)9-12)20-8-7-19-15-6-4-13(18)10-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyYXHZXSNEPFFBJN-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine (CID 166382318) is N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine is Fc1ccc(NCCNc2ccc3ccc(Br)cc3n2)nc1.
What is the InChIKey of N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is YXHZXSNEPFFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4/c17-12-3-1-11-2-5-16(22-14(11)9-12)20-8-7-19-15-6-4-13(18)10-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 361.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-bromoquinolin-2-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 166382318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).