CID 59965298

C24H22AlN2O3 — CID 59965298

IUPAC—
SMILESCCCCCC(=O)c1ccc(O[Al]Oc2cccc3cccnc23)c2ncccc12
InChIInChI=1S/C15H17NO2.C9H7NO.Al/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,8-10,18H,2-4,7H2,1H3;1-6,11H;/q;;+2/p-2
InChIKeyMARIDPOGSYMTNS-UHFFFAOYSA-L
MW413.43 g/mol
LogP5.54
Rot. Bonds9

About CID 59965298

CID 59965298 (PubChem CID 59965298) has the molecular formula C24H22AlN2O3 and a molecular weight of 413.43 g/mol.

Molecular Properties

Compound NameCID 59965298
PubChem CID59965298
Molecular FormulaC24H22AlN2O3
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name—
SMILESCCCCCC(=O)c1ccc(O[Al]Oc2cccc3cccnc23)c2ncccc12
InChIInChI=1S/C15H17NO2.C9H7NO.Al/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,8-10,18H,2-4,7H2,1H3;1-6,11H;/q;;+2/p-2
InChIKeyMARIDPOGSYMTNS-UHFFFAOYSA-L
XLogP5.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 8-butoxyquinoline-5-carboxylate
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1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
1-quinolin-4-yldecan-1-one
CID 105086389
N-quinolin-8-ylundecanamide
CID 3567928
quinolin-8-yl 2-ethylhexanoate
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1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of CID 59965298?
The IUPAC name of CID 59965298 (CID 59965298) is not available.
What is the SMILES notation for CID 59965298?
The canonical SMILES for CID 59965298 is CCCCCC(=O)c1ccc(O[Al]Oc2cccc3cccnc23)c2ncccc12.
What is the InChIKey of CID 59965298?
The InChIKey is MARIDPOGSYMTNS-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17NO2.C9H7NO.Al/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,8-10,18H,2-4,7H2,1H3;1-6,11H;/q;;+2/p-2.
What are the key properties of CID 59965298?
CID 59965298 has a molecular weight of 413.43 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59965298 is sourced from PubChem (CID 59965298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).