2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline

C25H19N5 — CID 70649651

IUPAC2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline
SMILESCn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C25H19N5/c1-30-21-12-11-20-19(5-3-14-26-20)25(21)29-22(30)13-10-18-9-8-17-7-6-16-4-2-15-27-23(16)24(17)28-18/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyJHXUIQHGGPCANF-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.00
Rot. Bonds3

About 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline

2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline (PubChem CID 70649651) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline
PubChem CID70649651
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline
SMILESCn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C25H19N5/c1-30-21-12-11-20-19(5-3-14-26-20)25(21)29-22(30)13-10-18-9-8-17-7-6-16-4-2-15-27-23(16)24(17)28-18/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyJHXUIQHGGPCANF-UHFFFAOYSA-N
XLogP5.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-1,10-phenanthroline?
The IUPAC name of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline (CID 70649651) is 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline?
The canonical SMILES for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline is Cn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline?
The InChIKey is JHXUIQHGGPCANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-30-21-12-11-20-19(5-3-14-26-20)25(21)29-22(30)13-10-18-9-8-17-7-6-16-4-2-15-27-23(16)24(17)28-18/h2-9,11-12,14-15H,10,13H2,1H3.
What are the key properties of 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline?
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline has a molecular weight of 389.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,10-phenanthroline is sourced from PubChem (CID 70649651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).