12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline

C24H17ClN2 — CID 139215722

IUPAC12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4Cl)c3cc2c1
InChIInChI=1S/C24H17ClN2/c1-14-7-9-21-16(11-14)13-19-23(17-5-3-4-6-20(17)25)18-12-15(2)8-10-22(18)27-24(19)26-21/h3-13H,1-2H3
InChIKeyOJMALZMXNDLVLX-UHFFFAOYSA-N
MW368.87 g/mol
LogP6.87
Rot. Bonds1

About 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline

12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline (PubChem CID 139215722) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline.

Molecular Properties

Compound Name12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline
PubChem CID139215722
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4Cl)c3cc2c1
InChIInChI=1S/C24H17ClN2/c1-14-7-9-21-16(11-14)13-19-23(17-5-3-4-6-20(17)25)18-12-15(2)8-10-22(18)27-24(19)26-21/h3-13H,1-2H3
InChIKeyOJMALZMXNDLVLX-UHFFFAOYSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 56.87
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 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline?
The IUPAC name of 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline (CID 139215722) is 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline.
What is the SMILES notation for 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline?
The canonical SMILES for 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline is Cc1ccc2nc3nc4ccc(C)cc4c(-c4ccccc4Cl)c3cc2c1.
What is the InChIKey of 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline?
The InChIKey is OJMALZMXNDLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2/c1-14-7-9-21-16(11-14)13-19-23(17-5-3-4-6-20(17)25)18-12-15(2)8-10-22(18)27-24(19)26-21/h3-13H,1-2H3.
What are the key properties of 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline?
12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline has a molecular weight of 368.87 g/mol, XLogP of 6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-chlorophenyl)-2,9-dimethylquinolino[2,3-b]quinoline is sourced from PubChem (CID 139215722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).