12-anilino-6H-quinolino[2,3-b]quinolin-11-one

C22H15N3O — CID 44537024

IUPAC12-anilino-6H-quinolino[2,3-b]quinolin-11-one
SMILESO=c1c2ccccc2[nH]c2nc3ccccc3c(Nc3ccccc3)c12
InChIInChI=1S/C22H15N3O/c26-21-16-11-5-7-13-18(16)25-22-19(21)20(23-14-8-2-1-3-9-14)15-10-4-6-12-17(15)24-22/h1-13H,(H2,23,24,25,26)
InChIKeyMITAEMQOCLQWIW-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.97
Rot. Bonds2

About 12-anilino-6H-quinolino[2,3-b]quinolin-11-one

12-anilino-6H-quinolino[2,3-b]quinolin-11-one (PubChem CID 44537024) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 12-anilino-6H-quinolino[2,3-b]quinolin-11-one.

Molecular Properties

Compound Name12-anilino-6H-quinolino[2,3-b]quinolin-11-one
PubChem CID44537024
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name12-anilino-6H-quinolino[2,3-b]quinolin-11-one
SMILESO=c1c2ccccc2[nH]c2nc3ccccc3c(Nc3ccccc3)c12
InChIInChI=1S/C22H15N3O/c26-21-16-11-5-7-13-18(16)25-22-19(21)20(23-14-8-2-1-3-9-14)15-10-4-6-12-17(15)24-22/h1-13H,(H2,23,24,25,26)
InChIKeyMITAEMQOCLQWIW-UHFFFAOYSA-N
XLogP4.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(1)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-anilino-6H-quinolino[2,3-b]quinolin-11-one?
The IUPAC name of 12-anilino-6H-quinolino[2,3-b]quinolin-11-one (CID 44537024) is 12-anilino-6H-quinolino[2,3-b]quinolin-11-one.
What is the SMILES notation for 12-anilino-6H-quinolino[2,3-b]quinolin-11-one?
The canonical SMILES for 12-anilino-6H-quinolino[2,3-b]quinolin-11-one is O=c1c2ccccc2[nH]c2nc3ccccc3c(Nc3ccccc3)c12.
What is the InChIKey of 12-anilino-6H-quinolino[2,3-b]quinolin-11-one?
The InChIKey is MITAEMQOCLQWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c26-21-16-11-5-7-13-18(16)25-22-19(21)20(23-14-8-2-1-3-9-14)15-10-4-6-12-17(15)24-22/h1-13H,(H2,23,24,25,26).
What are the key properties of 12-anilino-6H-quinolino[2,3-b]quinolin-11-one?
12-anilino-6H-quinolino[2,3-b]quinolin-11-one has a molecular weight of 337.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-anilino-6H-quinolino[2,3-b]quinolin-11-one is sourced from PubChem (CID 44537024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).