7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline

C25H19ClN2 — CID 90988576

IUPAC7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline
SMILESCc1ccc2nc3c(c(C)nc4ccc(C)cc43)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C25H19ClN2/c1-14-8-10-21-18(12-14)24(17-6-4-5-7-20(17)26)23-16(3)27-22-11-9-15(2)13-19(22)25(23)28-21/h4-13H,1-3H3
InChIKeyYOPLHLXTPDEDCC-UHFFFAOYSA-N
MW382.89 g/mol
LogP7.18
Rot. Bonds1

About 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline

7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline (PubChem CID 90988576) has the molecular formula C25H19ClN2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline
PubChem CID90988576
Molecular FormulaC25H19ClN2
Molecular Weight382.89 g/mol
Exact Mass382.12
IUPAC Name7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline
SMILESCc1ccc2nc3c(c(C)nc4ccc(C)cc43)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C25H19ClN2/c1-14-8-10-21-18(12-14)24(17-6-4-5-7-20(17)26)23-16(3)27-22-11-9-15(2)13-19(22)25(23)28-21/h4-13H,1-3H3
InChIKeyYOPLHLXTPDEDCC-UHFFFAOYSA-N
XLogP7.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline?
The IUPAC name of 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline (CID 90988576) is 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline.
What is the SMILES notation for 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline?
The canonical SMILES for 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline is Cc1ccc2nc3c(c(C)nc4ccc(C)cc43)c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline?
The InChIKey is YOPLHLXTPDEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2/c1-14-8-10-21-18(12-14)24(17-6-4-5-7-20(17)26)23-16(3)27-22-11-9-15(2)13-19(22)25(23)28-21/h4-13H,1-3H3.
What are the key properties of 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline?
7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline has a molecular weight of 382.89 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2,6,9-trimethylquinolino[4,3-b]quinoline is sourced from PubChem (CID 90988576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).