5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one

C22H23N3O3 — CID 44556932

IUPAC5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C22H23N3O3/c1-24(2)9-10-25-21-15-7-8-23-13-14(15)5-6-16(21)17-11-19(27-3)20(28-4)12-18(17)22(25)26/h5-8,11-13H,9-10H2,1-4H3
InChIKeyUUIIAWIOHNIFBO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one

5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one (PubChem CID 44556932) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
PubChem CID44556932
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C22H23N3O3/c1-24(2)9-10-25-21-15-7-8-23-13-14(15)5-6-16(21)17-11-19(27-3)20(28-4)12-18(17)22(25)26/h5-8,11-13H,9-10H2,1-4H3
InChIKeyUUIIAWIOHNIFBO-UHFFFAOYSA-N
XLogP3.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
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 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one (CID 44556932) is 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one is COc1cc2c(=O)n(CCN(C)C)c3c4ccncc4ccc3c2cc1OC.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The InChIKey is UUIIAWIOHNIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(2)9-10-25-21-15-7-8-23-13-14(15)5-6-16(21)17-11-19(27-3)20(28-4)12-18(17)22(25)26/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one has a molecular weight of 377.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one is sourced from PubChem (CID 44556932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).