4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine

C13H14Br2N2O — CID 62597239

IUPAC4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
SMILESNCCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H14Br2N2O/c14-10-8-11(15)13(18-7-2-1-5-16)12-9(10)4-3-6-17-12/h3-4,6,8H,1-2,5,7,16H2
InChIKeyFDVWADNWNWUTBQ-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.88
Rot. Bonds5

About 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine

4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine (PubChem CID 62597239) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine.

Molecular Properties

Compound Name4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
PubChem CID62597239
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
SMILESNCCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H14Br2N2O/c14-10-8-11(15)13(18-7-2-1-5-16)12-9(10)4-3-6-17-12/h3-4,6,8H,1-2,5,7,16H2
InChIKeyFDVWADNWNWUTBQ-UHFFFAOYSA-N
XLogP3.88
TPSA48.14 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 ≤ 53.88
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

3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
5,7-dibromo-8-methoxyquinoline
CID 10805403
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
4-anthracen-9-yloxybutan-1-amine
CID 14373236
7-bromo-8-propoxyquinoline
CID 100612692

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine?
The IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine (CID 62597239) is 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine.
What is the SMILES notation for 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine?
The canonical SMILES for 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine is NCCCCOc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine?
The InChIKey is FDVWADNWNWUTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c14-10-8-11(15)13(18-7-2-1-5-16)12-9(10)4-3-6-17-12/h3-4,6,8H,1-2,5,7,16H2.
What are the key properties of 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine?
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine has a molecular weight of 374.08 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine is sourced from PubChem (CID 62597239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).