2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one

C24H18N2O — CID 139215708

IUPAC2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one
SMILESCc1ccc2nc3[nH]c4c(C)cccc4c(=O)c3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N2O/c1-14-11-12-19-18(13-14)20(16-8-4-3-5-9-16)21-23(27)17-10-6-7-15(2)22(17)26-24(21)25-19/h3-13H,1-2H3,(H,25,26,27)
InChIKeyBODGZUWNRPMOAQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.51
Rot. Bonds1

About 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one

2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one (PubChem CID 139215708) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one.

Molecular Properties

Compound Name2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one
PubChem CID139215708
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one
SMILESCc1ccc2nc3[nH]c4c(C)cccc4c(=O)c3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N2O/c1-14-11-12-19-18(13-14)20(16-8-4-3-5-9-16)21-23(27)17-10-6-7-15(2)22(17)26-24(21)25-19/h3-13H,1-2H3,(H,25,26,27)
InChIKeyBODGZUWNRPMOAQ-UHFFFAOYSA-N
XLogP5.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.51
H-Bond Donors ≤ 51
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 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one?
The IUPAC name of 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one (CID 139215708) is 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one.
What is the SMILES notation for 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one?
The canonical SMILES for 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one is Cc1ccc2nc3[nH]c4c(C)cccc4c(=O)c3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one?
The InChIKey is BODGZUWNRPMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-14-11-12-19-18(13-14)20(16-8-4-3-5-9-16)21-23(27)17-10-6-7-15(2)22(17)26-24(21)25-19/h3-13H,1-2H3,(H,25,26,27).
What are the key properties of 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one?
2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one has a molecular weight of 350.42 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-12-phenyl-6H-quinolino[2,3-b]quinolin-11-one is sourced from PubChem (CID 139215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).