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

C69H50Cl2F2N12O11 — CID 158985941

IUPACN-(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
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(Cl)cc2C)cn1.CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1.COc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(C)=O)nc1
InChIInChI=1S/C23H17ClN4O4.C23H17ClN4O3.C23H16F2N4O4/c1-13(29)16-9-8-15(12-25-16)26-22(30)21-23(28-18-6-4-3-5-17(18)27-21)32-19-10-7-14(24)11-20(19)31-2;1-13-11-15(24)7-10-20(13)31-23-21(27-18-5-3-4-6-19(18)28-23)22(30)26-16-8-9-17(14(2)29)25-12-16;1-13(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/h3-12H,1-2H3,(H,26,30);3-12H,1-2H3,(H,26,30);2-12,23H,1H3,(H,27,31)
InChIKeyJPOLNMRCLJURIO-UHFFFAOYSA-N
MW1332.13 g/mol
LogP15.04
Rot. Bonds18

About 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

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 (PubChem CID 158985941) has the molecular formula C69H50Cl2F2N12O11 and a molecular weight of 1332.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158985941
Molecular FormulaC69H50Cl2F2N12O11
Molecular Weight1332.13 g/mol
Exact Mass1330.31
IUPAC NameN-(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
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(Cl)cc2C)cn1.CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1.COc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(C)=O)nc1
InChIInChI=1S/C23H17ClN4O4.C23H17ClN4O3.C23H16F2N4O4/c1-13(29)16-9-8-15(12-25-16)26-22(30)21-23(28-18-6-4-3-5-17(18)27-21)32-19-10-7-14(24)11-20(19)31-2;1-13-11-15(24)7-10-20(13)31-23-21(27-18-5-3-4-6-19(18)28-23)22(30)26-16-8-9-17(14(2)29)25-12-16;1-13(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/h3-12H,1-2H3,(H,26,30);3-12H,1-2H3,(H,26,30);2-12,23H,1H3,(H,27,31)
InChIKeyJPOLNMRCLJURIO-UHFFFAOYSA-N
XLogP15.04
TPSA300.67 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.13
LogP ≤ 515.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(Cl)cc2C)cn1.CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1.COc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(C)=O)nc1.
What is the InChIKey of 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?
The InChIKey is JPOLNMRCLJURIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O4.C23H17ClN4O3.C23H16F2N4O4/c1-13(29)16-9-8-15(12-25-16)26-22(30)21-23(28-18-6-4-3-5-17(18)27-21)32-19-10-7-14(24)11-20(19)31-2;1-13-11-15(24)7-10-20(13)31-23-21(27-18-5-3-4-6-19(18)28-23)22(30)26-16-8-9-17(14(2)29)25-12-16;1-13(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/h3-12H,1-2H3,(H,26,30);3-12H,1-2H3,(H,26,30);2-12,23H,1H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 1332.13 g/mol, XLogP of 15.04, 18 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158985941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).