3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one

C23H16N4O2 — CID 25134547

IUPAC3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2
InChIInChI=1S/C23H16N4O2/c1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19/h2-10,16H,11H2,1H3,(H,26,27)
InChIKeyIZBILMFLFGTTPW-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.33
Rot. Bonds1

About 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 25134547) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID25134547
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2
InChIInChI=1S/C23H16N4O2/c1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19/h2-10,16H,11H2,1H3,(H,26,27)
InChIKeyIZBILMFLFGTTPW-UHFFFAOYSA-N
XLogP4.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
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 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one (CID 25134547) is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.
What is the InChIKey of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is IZBILMFLFGTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19/h2-10,16H,11H2,1H3,(H,26,27).
What are the key properties of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one?
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 380.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 25134547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).