11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one

C24H19N3O4 — CID 155813439

IUPAC11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one
SMILESCOc1cc(-c2cc3ncccc3c3[nH]c(=O)c4cccnc4c23)cc(OC)c1OC
InChIInChI=1S/C24H19N3O4/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-25-17)22-20(16)21-15(24(28)27-22)7-5-9-26-21/h4-12H,1-3H3,(H,27,28)
InChIKeyWMVSZKJHXSEMPJ-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.32
Rot. Bonds4

About 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one

11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one (PubChem CID 155813439) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one.

Molecular Properties

Compound Name11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one
PubChem CID155813439
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one
SMILESCOc1cc(-c2cc3ncccc3c3[nH]c(=O)c4cccnc4c23)cc(OC)c1OC
InChIInChI=1S/C24H19N3O4/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-25-17)22-20(16)21-15(24(28)27-22)7-5-9-26-21/h4-12H,1-3H3,(H,27,28)
InChIKeyWMVSZKJHXSEMPJ-UHFFFAOYSA-N
XLogP4.32
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.32
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 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one?
The IUPAC name of 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one (CID 155813439) is 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one.
What is the SMILES notation for 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one?
The canonical SMILES for 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one is COc1cc(-c2cc3ncccc3c3[nH]c(=O)c4cccnc4c23)cc(OC)c1OC.
What is the InChIKey of 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one?
The InChIKey is WMVSZKJHXSEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-25-17)22-20(16)21-15(24(28)27-22)7-5-9-26-21/h4-12H,1-3H3,(H,27,28).
What are the key properties of 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one?
11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one has a molecular weight of 413.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one is sourced from PubChem (CID 155813439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).