N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

C22H14FN5O3 — CID 78319493

IUPACN-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C22H14FN5O3/c1-30-19-10-13(23)6-9-18(19)31-22-20(27-16-4-2-3-5-17(16)28-22)21(29)26-15-8-7-14(11-24)25-12-15/h2-10,12H,1H3,(H,26,29)
InChIKeyDWLARPPEZGCACN-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.09
Rot. Bonds5

About N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide

N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (PubChem CID 78319493) has the molecular formula C22H14FN5O3 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
PubChem CID78319493
Molecular FormulaC22H14FN5O3
Molecular Weight415.38 g/mol
Exact Mass415.11
IUPAC NameN-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C22H14FN5O3/c1-30-19-10-13(23)6-9-18(19)31-22-20(27-16-4-2-3-5-17(16)28-22)21(29)26-15-8-7-14(11-24)25-12-15/h2-10,12H,1H3,(H,26,29)
InChIKeyDWLARPPEZGCACN-UHFFFAOYSA-N
XLogP4.09
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (CID 78319493) is N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)nc1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The InChIKey is DWLARPPEZGCACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O3/c1-30-19-10-13(23)6-9-18(19)31-22-20(27-16-4-2-3-5-17(16)28-22)21(29)26-15-8-7-14(11-24)25-12-15/h2-10,12H,1H3,(H,26,29).
What are the key properties of N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).