CID 21351085

C22H20Al2N2O5 — CID 21351085

IUPAC—
SMILESCOc1cc(C)nc2c(O[Al]O[Al]Oc3cccc4c(OC)cc(C)nc34)cccc12
InChIInChI=1S/2C11H11NO2.2Al.O/c2*1-7-6-10(14-2)8-4-3-5-9(13)11(8)12-7;;;/h2*3-6,13H,1-2H3;;;/q;;2*+1;/p-2
InChIKeyAKKNULJZUUIEGP-UHFFFAOYSA-L
MW446.38 g/mol
LogP3.96
Rot. Bonds8

About CID 21351085

CID 21351085 (PubChem CID 21351085) has the molecular formula C22H20Al2N2O5 and a molecular weight of 446.38 g/mol.

Molecular Properties

Compound NameCID 21351085
PubChem CID21351085
Molecular FormulaC22H20Al2N2O5
Molecular Weight446.38 g/mol
Exact Mass446.10
IUPAC Name—
SMILESCOc1cc(C)nc2c(O[Al]O[Al]Oc3cccc4c(OC)cc(C)nc34)cccc12
InChIInChI=1S/2C11H11NO2.2Al.O/c2*1-7-6-10(14-2)8-4-3-5-9(13)11(8)12-7;;;/h2*3-6,13H,1-2H3;;;/q;;2*+1;/p-2
InChIKeyAKKNULJZUUIEGP-UHFFFAOYSA-L
XLogP3.96
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methylquinolin-8-ol
CID 18321891
CID 159244008
CID 159244008
1-(4-methoxy-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577379
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
3-(4-methoxy-2-methylquinolin-8-yl)propanamide
CID 82578489
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
(E)-3-(8-methoxy-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82449680
5-(8-methoxy-2-methylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82449670
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212

Frequently Asked Questions

What is the IUPAC name of CID 21351085?
The IUPAC name of CID 21351085 (CID 21351085) is not available.
What is the SMILES notation for CID 21351085?
The canonical SMILES for CID 21351085 is COc1cc(C)nc2c(O[Al]O[Al]Oc3cccc4c(OC)cc(C)nc34)cccc12.
What is the InChIKey of CID 21351085?
The InChIKey is AKKNULJZUUIEGP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11NO2.2Al.O/c2*1-7-6-10(14-2)8-4-3-5-9(13)11(8)12-7;;;/h2*3-6,13H,1-2H3;;;/q;;2*+1;/p-2.
What are the key properties of CID 21351085?
CID 21351085 has a molecular weight of 446.38 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21351085 is sourced from PubChem (CID 21351085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).