2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline

C24H18N2 — CID 72696884

IUPAC2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4)c3cc2c1
InChIInChI=1S/C24H18N2/c1-15-8-10-21-18(12-15)14-20-23(17-6-4-3-5-7-17)19-13-16(2)9-11-22(19)26-24(20)25-21/h3-14H,1-2H3
InChIKeyNUSOTRPBVVUPJV-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.22
Rot. Bonds1

About 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline

2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline (PubChem CID 72696884) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline.

Molecular Properties

Compound Name2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline
PubChem CID72696884
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4)c3cc2c1
InChIInChI=1S/C24H18N2/c1-15-8-10-21-18(12-15)14-20-23(17-6-4-3-5-7-17)19-13-16(2)9-11-22(19)26-24(20)25-21/h3-14H,1-2H3
InChIKeyNUSOTRPBVVUPJV-UHFFFAOYSA-N
XLogP6.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.22
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 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The IUPAC name of 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline (CID 72696884) is 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline.
What is the SMILES notation for 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The canonical SMILES for 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline is Cc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4)c3cc2c1.
What is the InChIKey of 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The InChIKey is NUSOTRPBVVUPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-15-8-10-21-18(12-15)14-20-23(17-6-4-3-5-7-17)19-13-16(2)9-11-22(19)26-24(20)25-21/h3-14H,1-2H3.
What are the key properties of 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline?
2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline has a molecular weight of 334.42 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-12-phenylquinolino[2,3-b]quinoline is sourced from PubChem (CID 72696884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).