N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine

C22H24N4O2 — CID 53305258

IUPACN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc2c(NCCN(C)C)nc3c4cccnc4ccc3c2cc1OC
InChIInChI=1S/C22H24N4O2/c1-26(2)11-10-24-22-17-13-20(28-4)19(27-3)12-16(17)14-7-8-18-15(21(14)25-22)6-5-9-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,25)
InChIKeyCYQAJOSGHOZLFQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.93
Rot. Bonds6

About N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 53305258) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID53305258
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc2c(NCCN(C)C)nc3c4cccnc4ccc3c2cc1OC
InChIInChI=1S/C22H24N4O2/c1-26(2)11-10-24-22-17-13-20(28-4)19(27-3)12-16(17)14-7-8-18-15(21(14)25-22)6-5-9-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,25)
InChIKeyCYQAJOSGHOZLFQ-UHFFFAOYSA-N
XLogP3.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.93
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 N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 53305258) is N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine is COc1cc2c(NCCN(C)C)nc3c4cccnc4ccc3c2cc1OC.
What is the InChIKey of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CYQAJOSGHOZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)11-10-24-22-17-13-20(28-4)19(27-3)12-16(17)14-7-8-18-15(21(14)25-22)6-5-9-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,25).
What are the key properties of N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 376.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dimethoxybenzo[c][1,7]phenanthrolin-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 53305258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).