N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide

C20H21N5O2 — CID 131912464

IUPACN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C20H21N5O2/c1-13-8-9-14(22-19(26)12-25(2)3)10-17(13)24-20(27)18-11-21-15-6-4-5-7-16(15)23-18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyKRDXZYORQUZPIM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.69
Rot. Bonds5

About N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide

N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide (PubChem CID 131912464) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
PubChem CID131912464
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C20H21N5O2/c1-13-8-9-14(22-19(26)12-25(2)3)10-17(13)24-20(27)18-11-21-15-6-4-5-7-16(15)23-18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyKRDXZYORQUZPIM-UHFFFAOYSA-N
XLogP2.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-[3-(dimethylcarbamoyl)-2-methylphenyl]quinoxaline-2-carboxamide
CID 131923245
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-[2-(dimethylamino)pyrimidin-5-yl]quinoxaline-2-carboxamide
CID 122297962
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
2-(dimethylamino)-N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4-methylphenyl]acetamide
CID 168537085
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-7,8-dimethylquinoline-5-carboxamide
CID 167789607
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide (CID 131912464) is N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide is Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide?
The InChIKey is KRDXZYORQUZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-8-9-14(22-19(26)12-25(2)3)10-17(13)24-20(27)18-11-21-15-6-4-5-7-16(15)23-18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide?
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 131912464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).