CID 58569648

C20H18AlN2O2 — CID 58569648

IUPAC—
SMILESCc1ccc2c(n1)C(O[Al]Oc1cccc3ccc(C)nc13)=CCC2
InChIInChI=1S/C10H11NO.C10H9NO.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h4-6,12H,2-3H2,1H3;2-6,12H,1H3;/q;;+2/p-2
InChIKeyFQVCBGFEBFVSHO-UHFFFAOYSA-L
MW345.36 g/mol
LogP4.16
Rot. Bonds4

About CID 58569648

CID 58569648 (PubChem CID 58569648) has the molecular formula C20H18AlN2O2 and a molecular weight of 345.36 g/mol.

Molecular Properties

Compound NameCID 58569648
PubChem CID58569648
Molecular FormulaC20H18AlN2O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name—
SMILESCc1ccc2c(n1)C(O[Al]Oc1cccc3ccc(C)nc13)=CCC2
InChIInChI=1S/C10H11NO.C10H9NO.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h4-6,12H,2-3H2,1H3;2-6,12H,1H3;/q;;+2/p-2
InChIKeyFQVCBGFEBFVSHO-UHFFFAOYSA-L
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58569648?
The IUPAC name of CID 58569648 (CID 58569648) is not available.
What is the SMILES notation for CID 58569648?
The canonical SMILES for CID 58569648 is Cc1ccc2c(n1)C(O[Al]Oc1cccc3ccc(C)nc13)=CCC2.
What is the InChIKey of CID 58569648?
The InChIKey is FQVCBGFEBFVSHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11NO.C10H9NO.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h4-6,12H,2-3H2,1H3;2-6,12H,1H3;/q;;+2/p-2.
What are the key properties of CID 58569648?
CID 58569648 has a molecular weight of 345.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58569648 is sourced from PubChem (CID 58569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).