7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide

C24H20FN3O3 — CID 112844532

IUPAC7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(F)cc3nccnc23)ccc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O3/c1-30-22-11-17(7-8-21(22)31-15-16-5-3-2-4-6-16)14-28-24(29)19-12-18(25)13-20-23(19)27-10-9-26-20/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyICEFOLXAAPDMRM-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.29
Rot. Bonds7

About 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide

7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide (PubChem CID 112844532) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
PubChem CID112844532
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(F)cc3nccnc23)ccc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O3/c1-30-22-11-17(7-8-21(22)31-15-16-5-3-2-4-6-16)14-28-24(29)19-12-18(25)13-20-23(19)27-10-9-26-20/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyICEFOLXAAPDMRM-UHFFFAOYSA-N
XLogP4.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
7-fluoro-N-(2-phenylmethoxy-4-pyridinyl)quinoxaline-5-carboxamide
CID 166179906
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 142875477
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide
CID 27865742
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide (CID 112844532) is 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide is COc1cc(CNC(=O)c2cc(F)cc3nccnc23)ccc1OCc1ccccc1.
What is the InChIKey of 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide?
The InChIKey is ICEFOLXAAPDMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-30-22-11-17(7-8-21(22)31-15-16-5-3-2-4-6-16)14-28-24(29)19-12-18(25)13-20-23(19)27-10-9-26-20/h2-13H,14-15H2,1H3,(H,28,29).
What are the key properties of 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide?
7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 112844532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).