[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate

C26H18FN3O2 — CID 174971494

IUPAC[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate
SMILESO=COCc1ccc2nc(Cc3ccnc4ccccc34)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H18FN3O2/c27-20-8-6-18(7-9-20)26-25(14-19-11-12-28-22-4-2-1-3-21(19)22)29-23-10-5-17(15-32-16-31)13-24(23)30-26/h1-13,16H,14-15H2
InChIKeyOLNHNJNIEFIJPI-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.25
Rot. Bonds6

About [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate

[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate (PubChem CID 174971494) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate
PubChem CID174971494
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC Name[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate
SMILESO=COCc1ccc2nc(Cc3ccnc4ccccc34)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H18FN3O2/c27-20-8-6-18(7-9-20)26-25(14-19-11-12-28-22-4-2-1-3-21(19)22)29-23-10-5-17(15-32-16-31)13-24(23)30-26/h1-13,16H,14-15H2
InChIKeyOLNHNJNIEFIJPI-UHFFFAOYSA-N
XLogP5.25
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-Bis(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
CID 15541846
7-Cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
CID 25168395
Tert-butyl 4-[1-(7-cyclopropylquinoxalin-5-yl)ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 57548114
7-(Difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline
CID 67835421
bis[1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butyl] (E)-but-2-enedioate
CID 69872942
(E)-4-[1-(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4-oxobut-2-enoic acid
CID 69982722
(4E)-4-(5,5-dimethyl-4-quinoxalin-6-ylfuran-2-ylidene)-7-fluoro-1H-2,1-benzoxazine
CID 71141446
CID 89210428
CID 89210428
CID 89210694
CID 89210694
2-[[2-(2,4-Difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline
CID 89309527
6-[5-(Ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90093919
[6-(4-Fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol
CID 90094035

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate?
The IUPAC name of [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate (CID 174971494) is [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate.
What is the SMILES notation for [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate?
The canonical SMILES for [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate is O=COCc1ccc2nc(Cc3ccnc4ccccc34)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate?
The InChIKey is OLNHNJNIEFIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2/c27-20-8-6-18(7-9-20)26-25(14-19-11-12-28-22-4-2-1-3-21(19)22)29-23-10-5-17(15-32-16-31)13-24(23)30-26/h1-13,16H,14-15H2.
What are the key properties of [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate?
[3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate has a molecular weight of 423.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-(quinolin-4-ylmethyl)quinoxalin-6-yl]methyl formate is sourced from PubChem (CID 174971494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).