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

C23H15N5O — CID 86297686

IUPAC3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1
InChIInChI=1S/C23H15N5O/c1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h2-11H,1H3,(H,26,29)(H,27,28)
InChIKeyJGAPSKFSEPWWIA-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.48
Rot. Bonds1

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

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one (PubChem CID 86297686) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
PubChem CID86297686
Molecular FormulaC23H15N5O
Molecular Weight377.41 g/mol
Exact Mass377.13
IUPAC Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1
InChIInChI=1S/C23H15N5O/c1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h2-11H,1H3,(H,26,29)(H,27,28)
InChIKeyJGAPSKFSEPWWIA-UHFFFAOYSA-N
XLogP4.48
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1H-quinolin-2-one?
The IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one (CID 86297686) is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.
What is the InChIKey of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one?
The InChIKey is JGAPSKFSEPWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h2-11H,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one?
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one has a molecular weight of 377.41 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 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-1H-quinolin-2-one is sourced from PubChem (CID 86297686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).