6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine

C25H29BrN2O — CID 67684836

IUPAC6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)ccnc2c1
InChIInChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-22-12-13-24-23(14-15-27-25(24)19-22)20-8-10-21(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
InChIKeyJOXVERLDXLWRNE-UHFFFAOYSA-N
MW453.42 g/mol
LogP6.72
Rot. Bonds11

About 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine

6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine (PubChem CID 67684836) has the molecular formula C25H29BrN2O and a molecular weight of 453.42 g/mol. Its IUPAC name is 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine
PubChem CID67684836
Molecular FormulaC25H29BrN2O
Molecular Weight453.42 g/mol
Exact Mass452.15
IUPAC Name6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)ccnc2c1
InChIInChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-22-12-13-24-23(14-15-27-25(24)19-22)20-8-10-21(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
InChIKeyJOXVERLDXLWRNE-UHFFFAOYSA-N
XLogP6.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine?
The IUPAC name of 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine (CID 67684836) is 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine is C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)ccnc2c1.
What is the InChIKey of 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine?
The InChIKey is JOXVERLDXLWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-22-12-13-24-23(14-15-27-25(24)19-22)20-8-10-21(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3.
What are the key properties of 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine?
6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine has a molecular weight of 453.42 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromophenyl)quinolin-7-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 67684836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).