3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine

C15H12BrN3 — CID 116783110

IUPAC3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
SMILESNc1cccc(Nc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C15H12BrN3/c16-11-7-10-3-1-6-14(15(10)18-9-11)19-13-5-2-4-12(17)8-13/h1-9,19H,17H2
InChIKeyCCDUTHQXWFZNAQ-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.32
Rot. Bonds2

About 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine

3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine (PubChem CID 116783110) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
PubChem CID116783110
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
SMILESNc1cccc(Nc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C15H12BrN3/c16-11-7-10-3-1-6-14(15(10)18-9-11)19-13-5-2-4-12(17)8-13/h1-9,19H,17H2
InChIKeyCCDUTHQXWFZNAQ-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine (CID 116783110) is 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine is Nc1cccc(Nc2cccc3cc(Br)cnc23)c1.
What is the InChIKey of 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine?
The InChIKey is CCDUTHQXWFZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-11-7-10-3-1-6-14(15(10)18-9-11)19-13-5-2-4-12(17)8-13/h1-9,19H,17H2.
What are the key properties of 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine?
3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine has a molecular weight of 314.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine is sourced from PubChem (CID 116783110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).