N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine

C10H9BrN2O — CID 164563245

IUPACN-(3-bromo-2-methylquinolin-5-yl)hydroxylamine
SMILESCc1nc2cccc(NO)c2cc1Br
InChIInChI=1S/C10H9BrN2O/c1-6-8(11)5-7-9(12-6)3-2-4-10(7)13-14/h2-5,13-14H,1H3
InChIKeyADUDNOBCJGCBNO-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.11
Rot. Bonds1

About N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine

N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine (PubChem CID 164563245) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3-bromo-2-methylquinolin-5-yl)hydroxylamine
PubChem CID164563245
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(3-bromo-2-methylquinolin-5-yl)hydroxylamine
SMILESCc1nc2cccc(NO)c2cc1Br
InChIInChI=1S/C10H9BrN2O/c1-6-8(11)5-7-9(12-6)3-2-4-10(7)13-14/h2-5,13-14H,1H3
InChIKeyADUDNOBCJGCBNO-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine?
The IUPAC name of N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine (CID 164563245) is N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine.
What is the SMILES notation for N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine?
The canonical SMILES for N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine is Cc1nc2cccc(NO)c2cc1Br.
What is the InChIKey of N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine?
The InChIKey is ADUDNOBCJGCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-8(11)5-7-9(12-6)3-2-4-10(7)13-14/h2-5,13-14H,1H3.
What are the key properties of N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine?
N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine has a molecular weight of 253.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylquinolin-5-yl)hydroxylamine is sourced from PubChem (CID 164563245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).