N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide

C23H16F2N4O4 — CID 118375976

IUPACN-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1
InChIInChI=1S/C23H16F2N4O4/c1-13(30)15-11-10-14(12-26-15)27-21(31)20-22(29-17-7-3-2-6-16(17)28-20)32-18-8-4-5-9-19(18)33-23(24)25/h2-12,23H,1H3,(H,27,31)
InChIKeyWIMJPNOXYUGMSN-UHFFFAOYSA-N
MW450.40 g/mol
LogP4.87
Rot. Bonds7

About N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide

N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide (PubChem CID 118375976) has the molecular formula C23H16F2N4O4 and a molecular weight of 450.40 g/mol. Its IUPAC name is N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
PubChem CID118375976
Molecular FormulaC23H16F2N4O4
Molecular Weight450.40 g/mol
Exact Mass450.11
IUPAC NameN-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1
InChIInChI=1S/C23H16F2N4O4/c1-13(30)15-11-10-14(12-26-15)27-21(31)20-22(29-17-7-3-2-6-16(17)28-20)32-18-8-4-5-9-19(18)33-23(24)25/h2-12,23H,1H3,(H,27,31)
InChIKeyWIMJPNOXYUGMSN-UHFFFAOYSA-N
XLogP4.87
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methylphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 158985941
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319871
N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 150985773
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The IUPAC name of N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide (CID 118375976) is N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The canonical SMILES for N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide is CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1.
What is the InChIKey of N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The InChIKey is WIMJPNOXYUGMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O4/c1-13(30)15-11-10-14(12-26-15)27-21(31)20-22(29-17-7-3-2-6-16(17)28-20)32-18-8-4-5-9-19(18)33-23(24)25/h2-12,23H,1H3,(H,27,31).
What are the key properties of N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide is sourced from PubChem (CID 118375976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).