12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

C23H20N2O3 — CID 3488824

IUPAC12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESCOc1cc(C2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-20-12-13(7-10-18(20)26)21-22-14-4-3-11-24-15(14)8-9-17(22)25-16-5-2-6-19(27)23(16)21/h3-4,7-12,21,25-26H,2,5-6H2,1H3
InChIKeySYECSNXUWPMESD-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.51
Rot. Bonds2

About 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (PubChem CID 3488824) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.

Molecular Properties

Compound Name12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
PubChem CID3488824
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESCOc1cc(C2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-20-12-13(7-10-18(20)26)21-22-14-4-3-11-24-15(14)8-9-17(22)25-16-5-2-6-19(27)23(16)21/h3-4,7-12,21,25-26H,2,5-6H2,1H3
InChIKeySYECSNXUWPMESD-UHFFFAOYSA-N
XLogP4.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The IUPAC name of 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (CID 3488824) is 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.
What is the SMILES notation for 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The canonical SMILES for 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is COc1cc(C2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O.
What is the InChIKey of 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The InChIKey is SYECSNXUWPMESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-20-12-13(7-10-18(20)26)21-22-14-4-3-11-24-15(14)8-9-17(22)25-16-5-2-6-19(27)23(16)21/h3-4,7-12,21,25-26H,2,5-6H2,1H3.
What are the key properties of 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one has a molecular weight of 372.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-hydroxy-3-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is sourced from PubChem (CID 3488824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).