CID 172523363

C22H13AlNO3 — CID 172523363

IUPAC—
SMILESO=C1C=Cc2cccc3ccc(O[Al]Oc4cccc5cccnc45)c1c23
InChIInChI=1S/C13H8O2.C9H7NO.Al/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,14H;1-6,11H;/q;;+2/p-2
InChIKeyPQSSXSQCUHLRPQ-UHFFFAOYSA-L
MW366.33 g/mol
LogP4.59
Rot. Bonds4

About CID 172523363

CID 172523363 (PubChem CID 172523363) has the molecular formula C22H13AlNO3 and a molecular weight of 366.33 g/mol.

Molecular Properties

Compound NameCID 172523363
PubChem CID172523363
Molecular FormulaC22H13AlNO3
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Name—
SMILESO=C1C=Cc2cccc3ccc(O[Al]Oc4cccc5cccnc45)c1c23
InChIInChI=1S/C13H8O2.C9H7NO.Al/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,14H;1-6,11H;/q;;+2/p-2
InChIKeyPQSSXSQCUHLRPQ-UHFFFAOYSA-L
XLogP4.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 172523363 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59965298
CID 59965298
bis(1,10-phenanthroline);ruthenium
CID 15001085
oxo(quinolin-8-yloxy)borane
CID 54325003
tri(quinolin-8-yloxy)alumane
CID 16683111
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
CID 158739664
CID 158739664
CID 137322014
CID 137322014
8-(chloromethoxy)quinoline
CID 79531226
10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
CID 15268948
9-(3-methylbutylamino)phenalen-1-one
CID 129048800
benzo[h]quinolin-10-olate
CID 101433150
azane;phenalen-1-one
CID 175328338

Frequently Asked Questions

What is the IUPAC name of CID 172523363?
The IUPAC name of CID 172523363 (CID 172523363) is not available.
What is the SMILES notation for CID 172523363?
The canonical SMILES for CID 172523363 is O=C1C=Cc2cccc3ccc(O[Al]Oc4cccc5cccnc45)c1c23.
What is the InChIKey of CID 172523363?
The InChIKey is PQSSXSQCUHLRPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H8O2.C9H7NO.Al/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-7,14H;1-6,11H;/q;;+2/p-2.
What are the key properties of CID 172523363?
CID 172523363 has a molecular weight of 366.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172523363 is sourced from PubChem (CID 172523363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).