4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine

C26H22N6O — CID 12001538

IUPAC4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine
SMILESCn1c(N2CCOCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21
InChIInChI=1S/C26H22N6O/c1-31-19-9-3-2-6-16(19)20(26(31)32-12-14-33-15-13-32)25-29-23-17-7-4-10-27-21(17)22-18(24(23)30-25)8-5-11-28-22/h2-11H,12-15H2,1H3,(H,29,30)
InChIKeyFUPFLOJUJIFMCQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.65
Rot. Bonds2

About 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine

4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine (PubChem CID 12001538) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine
PubChem CID12001538
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine
SMILESCn1c(N2CCOCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21
InChIInChI=1S/C26H22N6O/c1-31-19-9-3-2-6-16(19)20(26(31)32-12-14-33-15-13-32)25-29-23-17-7-4-10-27-21(17)22-18(24(23)30-25)8-5-11-28-22/h2-11H,12-15H2,1H3,(H,29,30)
InChIKeyFUPFLOJUJIFMCQ-UHFFFAOYSA-N
XLogP4.65
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine?
The IUPAC name of 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine (CID 12001538) is 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine.
What is the SMILES notation for 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine?
The canonical SMILES for 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine is Cn1c(N2CCOCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.
What is the InChIKey of 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine?
The InChIKey is FUPFLOJUJIFMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-31-19-9-3-2-6-16(19)20(26(31)32-12-14-33-15-13-32)25-29-23-17-7-4-10-27-21(17)22-18(24(23)30-25)8-5-11-28-22/h2-11H,12-15H2,1H3,(H,29,30).
What are the key properties of 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine?
4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine has a molecular weight of 434.50 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine is sourced from PubChem (CID 12001538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).