4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione

C24H15FN2O3 — CID 139827015

IUPAC4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccc(O)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1
InChIInChI=1S/C24H15FN2O3/c25-17-4-1-15(2-5-17)21-19-12-18(28)6-3-16(19)11-20-22(21)24(30)27(23(20)29)13-14-7-9-26-10-8-14/h1-12,28H,13H2
InChIKeySNICQLLKPQBAAL-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.54
Rot. Bonds3

About 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione

4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione (PubChem CID 139827015) has the molecular formula C24H15FN2O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
PubChem CID139827015
Molecular FormulaC24H15FN2O3
Molecular Weight398.39 g/mol
Exact Mass398.11
IUPAC Name4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccc(O)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1
InChIInChI=1S/C24H15FN2O3/c25-17-4-1-15(2-5-17)21-19-12-18(28)6-3-16(19)11-20-22(21)24(30)27(23(20)29)13-14-7-9-26-10-8-14/h1-12,28H,13H2
InChIKeySNICQLLKPQBAAL-UHFFFAOYSA-N
XLogP4.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(2-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811199
5-(6-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811550
(6-Hydroxy-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone
CID 11675672
(E)-1-(1-hydroxynaphthalen-2-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 132544693
N-(4-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1297210
7-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naphthalen-1-one
CID 15072953
N-[[(1R,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]pyridine-4-carboxamide
CID 145993105
2-Hydroxy-6-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]naphthalene-1-carbaldehyde
CID 88947030
[2-[6-Hydroxy-5-(hydroxymethyl)naphthalen-2-yl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 136628792
N-(4-hydroxy-2-methylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1231060
(5-Fluoronaphthalen-1-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54584998
(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122189985

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione (CID 139827015) is 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione is O=C1c2cc3ccc(O)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The InChIKey is SNICQLLKPQBAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O3/c25-17-4-1-15(2-5-17)21-19-12-18(28)6-3-16(19)11-20-22(21)24(30)27(23(20)29)13-14-7-9-26-10-8-14/h1-12,28H,13H2.
What are the key properties of 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione has a molecular weight of 398.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-hydroxy-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 139827015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).