CID 140802258

C24H28AlN2O2 — CID 140802258

IUPAC—
SMILESCc1cc(C)c2c(c1)/C=N/C1CCCCC1/N=C/c1cc(C)cc(C)c1O[Al]O2
InChIInChI=1S/C24H30N2O2.Al/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;/h9-14,21-22,27-28H,5-8H2,1-4H3;/q;+2/p-2/b25-13+,26-14+;
InChIKeyCPXIUSSQFHRMIV-RXQQCVBLSA-L
MW403.48 g/mol
LogP5.07
Rot. Bonds

About CID 140802258

CID 140802258 (PubChem CID 140802258) has the molecular formula C24H28AlN2O2 and a molecular weight of 403.48 g/mol.

Molecular Properties

Compound NameCID 140802258
PubChem CID140802258
Molecular FormulaC24H28AlN2O2
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC Name—
SMILESCc1cc(C)c2c(c1)/C=N/C1CCCCC1/N=C/c1cc(C)cc(C)c1O[Al]O2
InChIInChI=1S/C24H30N2O2.Al/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;/h9-14,21-22,27-28H,5-8H2,1-4H3;/q;+2/p-2/b25-13+,26-14+;
InChIKeyCPXIUSSQFHRMIV-RXQQCVBLSA-L
XLogP5.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 140802258 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 140802258?
The IUPAC name of CID 140802258 (CID 140802258) is not available.
What is the SMILES notation for CID 140802258?
The canonical SMILES for CID 140802258 is Cc1cc(C)c2c(c1)/C=N/C1CCCCC1/N=C/c1cc(C)cc(C)c1O[Al]O2.
What is the InChIKey of CID 140802258?
The InChIKey is CPXIUSSQFHRMIV-RXQQCVBLSA-L. The full InChI is InChI=1S/C24H30N2O2.Al/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;/h9-14,21-22,27-28H,5-8H2,1-4H3;/q;+2/p-2/b25-13+,26-14+;.
What are the key properties of CID 140802258?
CID 140802258 has a molecular weight of 403.48 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140802258 is sourced from PubChem (CID 140802258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).