N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

C23H15FN4O3 — CID 78319524

IUPACN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C23H15FN4O3/c1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25/h2-12H,1H3,(H,26,29)
InChIKeyROEBGRHUQUZRAR-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.69
Rot. Bonds5

About N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (PubChem CID 78319524) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
PubChem CID78319524
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC NameN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C23H15FN4O3/c1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25/h2-12H,1H3,(H,26,29)
InChIKeyROEBGRHUQUZRAR-UHFFFAOYSA-N
XLogP4.69
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (CID 78319524) is N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The InChIKey is ROEBGRHUQUZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25/h2-12H,1H3,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).