N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide

C26H21N5O2 — CID 2993039

IUPACN-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C26H21N5O2/c1-15-16(2)29-22-13-18(8-10-21(22)28-15)26(32)31-23-12-17(9-11-25(23)33-3)24-14-27-19-6-4-5-7-20(19)30-24/h4-14H,1-3H3,(H,31,32)
InChIKeyADQMZTIFQYJPEA-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.12
Rot. Bonds4

About N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 2993039) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID2993039
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C26H21N5O2/c1-15-16(2)29-22-13-18(8-10-21(22)28-15)26(32)31-23-12-17(9-11-25(23)33-3)24-14-27-19-6-4-5-7-20(19)30-24/h4-14H,1-3H3,(H,31,32)
InChIKeyADQMZTIFQYJPEA-UHFFFAOYSA-N
XLogP5.12
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
CID 162733624
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide
CID 2990029
6-[4-[1-(dimethylamino)ethenyl]phenyl]-N-(2-methoxyphenyl)-3-methylpyrazine-2-carboxamide
CID 160691090
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]quinoxaline-2-carboxamide
CID 122323462
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 2993039) is N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide is COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is ADQMZTIFQYJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-15-16(2)29-22-13-18(8-10-21(22)28-15)26(32)31-23-12-17(9-11-25(23)33-3)24-14-27-19-6-4-5-7-20(19)30-24/h4-14H,1-3H3,(H,31,32).
What are the key properties of N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 2993039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).