5,8-dimethylquinolino[3,2-c]acridine-6,7-diol

C22H16N2O2 — CID 135588744

IUPAC5,8-dimethylquinolino[3,2-c]acridine-6,7-diol
SMILESCc1c2ccccc2nc2c1c(O)c(O)c1c(C)c3ccccc3nc12
InChIInChI=1S/C22H16N2O2/c1-11-13-7-3-5-9-15(13)23-19-17(11)21(25)22(26)18-12(2)14-8-4-6-10-16(14)24-20(18)19/h3-10,25-26H,1-2H3
InChIKeyPNWFWWBEUJRIDK-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.12
Rot. Bonds

About 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol

5,8-dimethylquinolino[3,2-c]acridine-6,7-diol (PubChem CID 135588744) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol.

Molecular Properties

Compound Name5,8-dimethylquinolino[3,2-c]acridine-6,7-diol
PubChem CID135588744
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name5,8-dimethylquinolino[3,2-c]acridine-6,7-diol
SMILESCc1c2ccccc2nc2c1c(O)c(O)c1c(C)c3ccccc3nc12
InChIInChI=1S/C22H16N2O2/c1-11-13-7-3-5-9-15(13)23-19-17(11)21(25)22(26)18-12(2)14-8-4-6-10-16(14)24-20(18)19/h3-10,25-26H,1-2H3
InChIKeyPNWFWWBEUJRIDK-UHFFFAOYSA-N
XLogP5.12
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol?
The IUPAC name of 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol (CID 135588744) is 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol.
What is the SMILES notation for 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol?
The canonical SMILES for 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol is Cc1c2ccccc2nc2c1c(O)c(O)c1c(C)c3ccccc3nc12.
What is the InChIKey of 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol?
The InChIKey is PNWFWWBEUJRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-11-13-7-3-5-9-15(13)23-19-17(11)21(25)22(26)18-12(2)14-8-4-6-10-16(14)24-20(18)19/h3-10,25-26H,1-2H3.
What are the key properties of 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol?
5,8-dimethylquinolino[3,2-c]acridine-6,7-diol has a molecular weight of 340.38 g/mol, XLogP of 5.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylquinolino[3,2-c]acridine-6,7-diol is sourced from PubChem (CID 135588744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).