(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone

C18H14ClFN2O4 — CID 89478118

IUPAC(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
SMILESCOCCOc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1
InChIInChI=1S/C18H14ClFN2O4/c1-25-6-7-26-15-9-21-12-4-2-10(8-13(12)22-15)18(24)16-11(20)3-5-14(23)17(16)19/h2-5,8-9,23H,6-7H2,1H3
InChIKeyFATMGPZSVQNZEA-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.38
Rot. Bonds6

About (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone

(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone (PubChem CID 89478118) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
PubChem CID89478118
Molecular FormulaC18H14ClFN2O4
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
SMILESCOCCOc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1
InChIInChI=1S/C18H14ClFN2O4/c1-25-6-7-26-15-9-21-12-4-2-10(8-13(12)22-15)18(24)16-11(20)3-5-14(23)17(16)19/h2-5,8-9,23H,6-7H2,1H3
InChIKeyFATMGPZSVQNZEA-UHFFFAOYSA-N
XLogP3.38
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone?
The IUPAC name of (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone (CID 89478118) is (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone?
The canonical SMILES for (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone is COCCOc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1.
What is the InChIKey of (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone?
The InChIKey is FATMGPZSVQNZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c1-25-6-7-26-15-9-21-12-4-2-10(8-13(12)22-15)18(24)16-11(20)3-5-14(23)17(16)19/h2-5,8-9,23H,6-7H2,1H3.
What are the key properties of (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone?
(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone has a molecular weight of 376.77 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone is sourced from PubChem (CID 89478118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).