4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine

C16H20Br2N2O — CID 62597073

IUPAC4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
SMILESCCCNCCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C16H20Br2N2O/c1-2-7-19-8-3-4-10-21-16-14(18)11-13(17)12-6-5-9-20-15(12)16/h5-6,9,11,19H,2-4,7-8,10H2,1H3
InChIKeyVVQQRQNTRSOTPX-UHFFFAOYSA-N
MW416.16 g/mol
LogP4.92
Rot. Bonds8

About 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine

4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine (PubChem CID 62597073) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
PubChem CID62597073
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC Name4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
SMILESCCCNCCCCOc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C16H20Br2N2O/c1-2-7-19-8-3-4-10-21-16-14(18)11-13(17)12-6-5-9-20-15(12)16/h5-6,9,11,19H,2-4,7-8,10H2,1H3
InChIKeyVVQQRQNTRSOTPX-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 54.92
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)oxybutan-1-amine
CID 62597239
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
N-propyl-5-quinolin-8-yloxypentan-1-amine
CID 62484408
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
5,7-dibromo-8-methoxyquinoline
CID 10805403
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
7-bromo-8-propoxyquinoline
CID 100612692
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
CID 63516068
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine?
The IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine (CID 62597073) is 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine.
What is the SMILES notation for 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine?
The canonical SMILES for 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine is CCCNCCCCOc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine?
The InChIKey is VVQQRQNTRSOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c1-2-7-19-8-3-4-10-21-16-14(18)11-13(17)12-6-5-9-20-15(12)16/h5-6,9,11,19H,2-4,7-8,10H2,1H3.
What are the key properties of 4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine?
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine has a molecular weight of 416.16 g/mol, XLogP of 4.92, 8 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)oxy-N-propylbutan-1-amine is sourced from PubChem (CID 62597073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).