7-bromo-4-N-methoxyquinoline-3,4-diamine

C10H10BrN3O — CID 146561639

IUPAC7-bromo-4-N-methoxyquinoline-3,4-diamine
SMILESCONc1c(N)cnc2cc(Br)ccc12
InChIInChI=1S/C10H10BrN3O/c1-15-14-10-7-3-2-6(11)4-9(7)13-5-8(10)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeySBNWALKLLIIHMY-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.55
Rot. Bonds2

About 7-bromo-4-N-methoxyquinoline-3,4-diamine

7-bromo-4-N-methoxyquinoline-3,4-diamine (PubChem CID 146561639) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 7-bromo-4-N-methoxyquinoline-3,4-diamine.

Molecular Properties

Compound Name7-bromo-4-N-methoxyquinoline-3,4-diamine
PubChem CID146561639
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name7-bromo-4-N-methoxyquinoline-3,4-diamine
SMILESCONc1c(N)cnc2cc(Br)ccc12
InChIInChI=1S/C10H10BrN3O/c1-15-14-10-7-3-2-6(11)4-9(7)13-5-8(10)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeySBNWALKLLIIHMY-UHFFFAOYSA-N
XLogP2.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-N-methoxyquinoline-3,4-diamine?
The IUPAC name of 7-bromo-4-N-methoxyquinoline-3,4-diamine (CID 146561639) is 7-bromo-4-N-methoxyquinoline-3,4-diamine.
What is the SMILES notation for 7-bromo-4-N-methoxyquinoline-3,4-diamine?
The canonical SMILES for 7-bromo-4-N-methoxyquinoline-3,4-diamine is CONc1c(N)cnc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-N-methoxyquinoline-3,4-diamine?
The InChIKey is SBNWALKLLIIHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-15-14-10-7-3-2-6(11)4-9(7)13-5-8(10)12/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 7-bromo-4-N-methoxyquinoline-3,4-diamine?
7-bromo-4-N-methoxyquinoline-3,4-diamine has a molecular weight of 268.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-N-methoxyquinoline-3,4-diamine is sourced from PubChem (CID 146561639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).