3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine

C15H11Br2N3 — CID 105368110

IUPAC3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine
SMILESCc1cnc(Nc2cccc3cc(Br)cnc23)c(Br)c1
InChIInChI=1S/C15H11Br2N3/c1-9-5-12(17)15(19-7-9)20-13-4-2-3-10-6-11(16)8-18-14(10)13/h2-8H,1H3,(H,19,20)
InChIKeyABZJCZREOKZIKY-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.21
Rot. Bonds2

About 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine

3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine (PubChem CID 105368110) has the molecular formula C15H11Br2N3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine
PubChem CID105368110
Molecular FormulaC15H11Br2N3
Molecular Weight393.08 g/mol
Exact Mass390.93
IUPAC Name3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine
SMILESCc1cnc(Nc2cccc3cc(Br)cnc23)c(Br)c1
InChIInChI=1S/C15H11Br2N3/c1-9-5-12(17)15(19-7-9)20-13-4-2-3-10-6-11(16)8-18-14(10)13/h2-8H,1H3,(H,19,20)
InChIKeyABZJCZREOKZIKY-UHFFFAOYSA-N
XLogP5.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170
3-bromo-N-phenylquinolin-8-amine
CID 86754991
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-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
1-N-(3-bromoquinolin-8-yl)-4-methylbenzene-1,3-diamine
CID 116783104
4-N-(3-bromoquinolin-8-yl)-6-chloropyrimidine-4,5-diamine
CID 116783130
3-N-(3-bromoquinolin-8-yl)benzene-1,3-diamine
CID 116783110
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
4-bromo-1-N-(3-bromoquinolin-8-yl)-5-fluorobenzene-1,2-diamine
CID 116783114
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine (CID 105368110) is 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine is Cc1cnc(Nc2cccc3cc(Br)cnc23)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine?
The InChIKey is ABZJCZREOKZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3/c1-9-5-12(17)15(19-7-9)20-13-4-2-3-10-6-11(16)8-18-14(10)13/h2-8H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine?
3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine has a molecular weight of 393.08 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine is sourced from PubChem (CID 105368110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).