7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium

C18H15FIrNO2- — CID 21032989

IUPAC7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)/C=C(/C)O.Fc1cc[c-]c2c1ccc1cccnc12.[Ir]
InChIInChI=1S/C13H7FN.C5H8O2.Ir/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11;1-4(6)3-5(2)7;/h1-3,5-8H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyRBNGIPYKSOSGFH-LWFKIUJUSA-N
MW488.54 g/mol
LogP4.36
Rot. Bonds1

About 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium

7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium (PubChem CID 21032989) has the molecular formula C18H15FIrNO2- and a molecular weight of 488.54 g/mol. Its IUPAC name is 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium.

Molecular Properties

Compound Name7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
PubChem CID21032989
Molecular FormulaC18H15FIrNO2-
Molecular Weight488.54 g/mol
Exact Mass489.07
IUPAC Name7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)/C=C(/C)O.Fc1cc[c-]c2c1ccc1cccnc12.[Ir]
InChIInChI=1S/C13H7FN.C5H8O2.Ir/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11;1-4(6)3-5(2)7;/h1-3,5-8H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyRBNGIPYKSOSGFH-LWFKIUJUSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[(4-fluorophenyl)methyl]-2-pyridyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 513273
(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one
CID 57399817
Synthesis of 2-(aminomethyl)-6-(6-(trifluoromethyl)pyridin-3-yl)quinolin-4(1H)-one hydrochloride
CID 162533526
Bis[2-(2-pyridinyl-N)phenyl-C](2,4-pentanedionato-O2,O4)iridium(III)
CID 50878548
1-benzyl-2-methyl-3-[(E)-2-pyridin-2-ylethenyl]pyridin-4-one
CID 44422632
Acetic acid--2,3-dimethylpyridine (1/1)
CID 71415776
4-(5-Fluoropyridin-2-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278213
3-(3-Fluoropyridin-2-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278216
4-(5-Fluoro-6-methylpyridin-3-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278220
5-(5-Fluoro-6-methylpyridin-3-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278222
5-(5-Fluoropyridin-2-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278240
4-(5-Fluoro-2-methylpyridin-3-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 156278252

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The IUPAC name of 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium (CID 21032989) is 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium.
What is the SMILES notation for 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The canonical SMILES for 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium is CC(=O)/C=C(/C)O.Fc1cc[c-]c2c1ccc1cccnc12.[Ir].
What is the InChIKey of 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The InChIKey is RBNGIPYKSOSGFH-LWFKIUJUSA-N. The full InChI is InChI=1S/C13H7FN.C5H8O2.Ir/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11;1-4(6)3-5(2)7;/h1-3,5-8H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium has a molecular weight of 488.54 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10H-benzo[h]quinolin-10-ide;(Z)-4-hydroxypent-3-en-2-one;iridium is sourced from PubChem (CID 21032989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).