N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine

C16H20Br2N2O — CID 63516068

IUPACN-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C16H20Br2N2O/c1-4-10(2)20-9-11(3)21-16-14(18)8-13(17)12-6-5-7-19-15(12)16/h5-8,10-11,20H,4,9H2,1-3H3
InChIKeySPWPBVWIYUPUGY-UHFFFAOYSA-N
MW416.16 g/mol
LogP4.92
Rot. Bonds6

About N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine

N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine (PubChem CID 63516068) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
PubChem CID63516068
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC NameN-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C16H20Br2N2O/c1-4-10(2)20-9-11(3)21-16-14(18)8-13(17)12-6-5-7-19-15(12)16/h5-8,10-11,20H,4,9H2,1-3H3
InChIKeySPWPBVWIYUPUGY-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
5,7-dibromo-8-methoxyquinoline
CID 10805403
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011285
(2R)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011286
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine?
The IUPAC name of N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine (CID 63516068) is N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine.
What is the SMILES notation for N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine?
The canonical SMILES for N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine is CCC(C)NCC(C)Oc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine?
The InChIKey is SPWPBVWIYUPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c1-4-10(2)20-9-11(3)21-16-14(18)8-13(17)12-6-5-7-19-15(12)16/h5-8,10-11,20H,4,9H2,1-3H3.
What are the key properties of N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine?
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine has a molecular weight of 416.16 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine is sourced from PubChem (CID 63516068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).