3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide

C21H15FN4O3 — CID 78319496

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H15FN4O3/c1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-12H,1H3,(H,24,27)
InChIKeyJYMSSXHWMZBCJX-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.22
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide (PubChem CID 78319496) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
PubChem CID78319496
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H15FN4O3/c1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-12H,1H3,(H,24,27)
InChIKeyJYMSSXHWMZBCJX-UHFFFAOYSA-N
XLogP4.22
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoxaline-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 11112574
(3-Ethoxyquinoxalin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53317963
(3-Ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 53321905
5-[[3-(3-Fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319369
5-[[3-(2,4-Difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319371
5-(3-(4-Fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamido)picolinic acid
CID 78319395
4-(3-(4-(Trifluoromethoxy)phenoxy)quinoxaline-2-carboxamido)picolinic acid
CID 78319396
4-[[3-(4-Fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319397
N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319433
3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide
CID 78319463
N-(6-cyano-3-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319493
3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 78319495

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide (CID 78319496) is 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The InChIKey is JYMSSXHWMZBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-12H,1H3,(H,24,27).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 78319496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).