[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol

C21H16FN3O — CID 90094035

IUPAC[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol
SMILESCc1cc(-c2ncc(CO)cc2-c2ccc3nccnc3c2)ccc1F
InChIInChI=1S/C21H16FN3O/c1-13-8-16(2-4-18(13)22)21-17(9-14(12-26)11-25-21)15-3-5-19-20(10-15)24-7-6-23-19/h2-11,26H,12H2,1H3
InChIKeyFZMPFKJULPWLJB-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.30
Rot. Bonds3

About [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol

[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol (PubChem CID 90094035) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol
PubChem CID90094035
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol
SMILESCc1cc(-c2ncc(CO)cc2-c2ccc3nccnc3c2)ccc1F
InChIInChI=1S/C21H16FN3O/c1-13-8-16(2-4-18(13)22)21-17(9-14(12-26)11-25-21)15-3-5-19-20(10-15)24-7-6-23-19/h2-11,26H,12H2,1H3
InChIKeyFZMPFKJULPWLJB-UHFFFAOYSA-N
XLogP4.30
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol?
The IUPAC name of [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol (CID 90094035) is [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol is Cc1cc(-c2ncc(CO)cc2-c2ccc3nccnc3c2)ccc1F.
What is the InChIKey of [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol?
The InChIKey is FZMPFKJULPWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-8-16(2-4-18(13)22)21-17(9-14(12-26)11-25-21)15-3-5-19-20(10-15)24-7-6-23-19/h2-11,26H,12H2,1H3.
What are the key properties of [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol?
[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol has a molecular weight of 345.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methanol is sourced from PubChem (CID 90094035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).