2-methyl-12-phenylquinolino[2,3-b]quinoline

C23H16N2 — CID 139231052

IUPAC2-methyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C23H16N2/c1-15-11-12-21-18(13-15)22(16-7-3-2-4-8-16)19-14-17-9-5-6-10-20(17)24-23(19)25-21/h2-14H,1H3
InChIKeyWRHIAZVTYYHTOG-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.91
Rot. Bonds1

About 2-methyl-12-phenylquinolino[2,3-b]quinoline

2-methyl-12-phenylquinolino[2,3-b]quinoline (PubChem CID 139231052) has the molecular formula C23H16N2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-12-phenylquinolino[2,3-b]quinoline.

Molecular Properties

Compound Name2-methyl-12-phenylquinolino[2,3-b]quinoline
PubChem CID139231052
Molecular FormulaC23H16N2
Molecular Weight320.39 g/mol
Exact Mass320.13
IUPAC Name2-methyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C23H16N2/c1-15-11-12-21-18(13-15)22(16-7-3-2-4-8-16)19-14-17-9-5-6-10-20(17)24-23(19)25-21/h2-14H,1H3
InChIKeyWRHIAZVTYYHTOG-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-12-phenylquinolino[2,3-b]quinoline?
The IUPAC name of 2-methyl-12-phenylquinolino[2,3-b]quinoline (CID 139231052) is 2-methyl-12-phenylquinolino[2,3-b]quinoline.
What is the SMILES notation for 2-methyl-12-phenylquinolino[2,3-b]quinoline?
The canonical SMILES for 2-methyl-12-phenylquinolino[2,3-b]quinoline is Cc1ccc2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-methyl-12-phenylquinolino[2,3-b]quinoline?
The InChIKey is WRHIAZVTYYHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-15-11-12-21-18(13-15)22(16-7-3-2-4-8-16)19-14-17-9-5-6-10-20(17)24-23(19)25-21/h2-14H,1H3.
What are the key properties of 2-methyl-12-phenylquinolino[2,3-b]quinoline?
2-methyl-12-phenylquinolino[2,3-b]quinoline has a molecular weight of 320.39 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-12-phenylquinolino[2,3-b]quinoline is sourced from PubChem (CID 139231052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).