12-(4-methoxyphenyl)quinolino[2,3-b]quinoline

C23H16N2O — CID 139231056

IUPAC12-(4-methoxyphenyl)quinolino[2,3-b]quinoline
SMILESCOc1ccc(-c2c3ccccc3nc3nc4ccccc4cc23)cc1
InChIInChI=1S/C23H16N2O/c1-26-17-12-10-15(11-13-17)22-18-7-3-5-9-21(18)25-23-19(22)14-16-6-2-4-8-20(16)24-23/h2-14H,1H3
InChIKeyNOSRMVAYXXCZQW-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.61
Rot. Bonds2

About 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline

12-(4-methoxyphenyl)quinolino[2,3-b]quinoline (PubChem CID 139231056) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline.

Molecular Properties

Compound Name12-(4-methoxyphenyl)quinolino[2,3-b]quinoline
PubChem CID139231056
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name12-(4-methoxyphenyl)quinolino[2,3-b]quinoline
SMILESCOc1ccc(-c2c3ccccc3nc3nc4ccccc4cc23)cc1
InChIInChI=1S/C23H16N2O/c1-26-17-12-10-15(11-13-17)22-18-7-3-5-9-21(18)25-23-19(22)14-16-6-2-4-8-20(16)24-23/h2-14H,1H3
InChIKeyNOSRMVAYXXCZQW-UHFFFAOYSA-N
XLogP5.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline 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 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline?
The IUPAC name of 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline (CID 139231056) is 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline.
What is the SMILES notation for 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline?
The canonical SMILES for 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline is COc1ccc(-c2c3ccccc3nc3nc4ccccc4cc23)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline?
The InChIKey is NOSRMVAYXXCZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-26-17-12-10-15(11-13-17)22-18-7-3-5-9-21(18)25-23-19(22)14-16-6-2-4-8-20(16)24-23/h2-14H,1H3.
What are the key properties of 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline?
12-(4-methoxyphenyl)quinolino[2,3-b]quinoline has a molecular weight of 336.39 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)quinolino[2,3-b]quinoline is sourced from PubChem (CID 139231056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).