3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine

C13H14Br2N2O — CID 62597922

IUPAC3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H14Br2N2O/c1-16-5-3-7-18-13-11(15)8-10(14)9-4-2-6-17-12(9)13/h2,4,6,8,16H,3,5,7H2,1H3
InChIKeyHRAFYDPZNZBARX-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.75
Rot. Bonds5

About 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine

3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine (PubChem CID 62597922) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
PubChem CID62597922
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H14Br2N2O/c1-16-5-3-7-18-13-11(15)8-10(14)9-4-2-6-17-12(9)13/h2,4,6,8,16H,3,5,7H2,1H3
InChIKeyHRAFYDPZNZBARX-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5,7-dibromo-8-methoxyquinoline
CID 10805403
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
CID 63516068
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
7-bromo-8-propoxyquinoline
CID 100612692
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
3-(4-bromo-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 27047233

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine (CID 62597922) is 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine is CNCCCOc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine?
The InChIKey is HRAFYDPZNZBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-16-5-3-7-18-13-11(15)8-10(14)9-4-2-6-17-12(9)13/h2,4,6,8,16H,3,5,7H2,1H3.
What are the key properties of 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine?
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine has a molecular weight of 374.08 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 62597922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).