8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde

C43H41AlN4O5 — CID 21051655

IUPAC8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde
SMILESO=Cc1ccc(O[Al](Oc2ccc(C=O)c3cccnc23)Oc2ccc(CNCCCCCCC3CC4C=CC3C4)c3cccnc23)c2ncccc12
InChIInChI=1S/C23H30N2O.2C10H7NO2.Al/c26-22-11-10-20(21-7-5-13-25-23(21)22)16-24-12-4-2-1-3-6-18-14-17-8-9-19(18)15-17;2*12-6-7-3-4-9(13)10-8(7)2-1-5-11-10;/h5,7-11,13,17-19,24,26H,1-4,6,12,14-16H2;2*1-6,13H;/q;;;+3/p-3
InChIKeyBNAGZOPMAUIJNK-UHFFFAOYSA-K
MW720.81 g/mol
LogP8.73
Rot. Bonds17

About 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde

8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde (PubChem CID 21051655) has the molecular formula C43H41AlN4O5 and a molecular weight of 720.81 g/mol. Its IUPAC name is 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde.

Molecular Properties

Compound Name8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde
PubChem CID21051655
Molecular FormulaC43H41AlN4O5
Molecular Weight720.81 g/mol
Exact Mass720.29
IUPAC Name8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde
SMILESO=Cc1ccc(O[Al](Oc2ccc(C=O)c3cccnc23)Oc2ccc(CNCCCCCCC3CC4C=CC3C4)c3cccnc23)c2ncccc12
InChIInChI=1S/C23H30N2O.2C10H7NO2.Al/c26-22-11-10-20(21-7-5-13-25-23(21)22)16-24-12-4-2-1-3-6-18-14-17-8-9-19(18)15-17;2*12-6-7-3-4-9(13)10-8(7)2-1-5-11-10;/h5,7-11,13,17-19,24,26H,1-4,6,12,14-16H2;2*1-6,13H;/q;;;+3/p-3
InChIKeyBNAGZOPMAUIJNK-UHFFFAOYSA-K
XLogP8.73
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.81
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde with MolForge

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Related Compounds

1-[8-[[7-(5-Ethylnonan-2-yl)quinolin-8-yl]oxy-quinolin-8-yloxygallanyl]oxyquinolin-4-yl]hexan-1-one
CID 20678165
6-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[8-bis[(5-nitroquinolin-8-yl)oxy]alumanyloxyquinolin-5-yl]methyl]hexan-1-amine
CID 21051656
6-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[8-[bis(1,5-naphthyridin-4-yloxy)alumanyloxy]quinolin-5-yl]methyl]hexan-1-amine
CID 21051658
6-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]hexan-1-amine
CID 21051665
CID 21051667
CID 21051667
6-(2-bicyclo[2.2.2]oct-5-enyl)-N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]hexan-1-amine
CID 21051668
6-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[8-di(quinoxalin-5-yloxy)alumanyloxyquinolin-5-yl]methyl]hexan-1-amine
CID 21051671
(E)-3-[8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-[5-[(E)-3-oxo-3-phenylprop-1-enyl]quinolin-8-yl]oxyalumanyl]oxyquinolin-5-yl]-1-phenylprop-2-en-1-one
CID 21051674
CID 21051679
CID 21051679
N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine
CID 21051683
CID 59965295
CID 59965295
CID 59965298
CID 59965298

Frequently Asked Questions

What is the IUPAC name of 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde?
The IUPAC name of 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde (CID 21051655) is 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde.
What is the SMILES notation for 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde?
The canonical SMILES for 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde is O=Cc1ccc(O[Al](Oc2ccc(C=O)c3cccnc23)Oc2ccc(CNCCCCCCC3CC4C=CC3C4)c3cccnc23)c2ncccc12.
What is the InChIKey of 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde?
The InChIKey is BNAGZOPMAUIJNK-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H30N2O.2C10H7NO2.Al/c26-22-11-10-20(21-7-5-13-25-23(21)22)16-24-12-4-2-1-3-6-18-14-17-8-9-19(18)15-17;2*12-6-7-3-4-9(13)10-8(7)2-1-5-11-10;/h5,7-11,13,17-19,24,26H,1-4,6,12,14-16H2;2*1-6,13H;/q;;;+3/p-3.
What are the key properties of 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde?
8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde has a molecular weight of 720.81 g/mol, XLogP of 8.73, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-[[6-(2-bicyclo[2.2.1]hept-5-enyl)hexylamino]methyl]quinolin-8-yl]oxy-(5-formylquinolin-8-yl)oxyalumanyl]oxyquinoline-5-carbaldehyde is sourced from PubChem (CID 21051655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).