2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline

C26H20N4 — CID 134243207

IUPAC2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
SMILESCn1c(CCc2ccc3ccc4ccccc4c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C26H20N4/c1-30-23-14-13-22-21(7-4-16-27-22)26(23)29-24(30)15-12-19-11-10-18-9-8-17-5-2-3-6-20(17)25(18)28-19/h2-11,13-14,16H,12,15H2,1H3
InChIKeyRIIIQXSMHITJEM-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.61
Rot. Bonds3

About 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline

2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline (PubChem CID 134243207) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
PubChem CID134243207
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
SMILESCn1c(CCc2ccc3ccc4ccccc4c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C26H20N4/c1-30-23-14-13-22-21(7-4-16-27-22)26(23)29-24(30)15-12-19-11-10-18-9-8-17-5-2-3-6-20(17)25(18)28-19/h2-11,13-14,16H,12,15H2,1H3
InChIKeyRIIIQXSMHITJEM-UHFFFAOYSA-N
XLogP5.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline?
The IUPAC name of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline (CID 134243207) is 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline.
What is the SMILES notation for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline?
The canonical SMILES for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline is Cn1c(CCc2ccc3ccc4ccccc4c3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline?
The InChIKey is RIIIQXSMHITJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-30-23-14-13-22-21(7-4-16-27-22)26(23)29-24(30)15-12-19-11-10-18-9-8-17-5-2-3-6-20(17)25(18)28-19/h2-11,13-14,16H,12,15H2,1H3.
What are the key properties of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline?
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline has a molecular weight of 388.47 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline is sourced from PubChem (CID 134243207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).