N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C21H24N4O3 — CID 46976122

IUPACN-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1ccc(OCCN(C)C)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C21H24N4O3/c1-14-9-10-18(28-12-11-24(2)3)16(13-14)23-20(26)19-21(27)25(4)17-8-6-5-7-15(17)22-19/h5-10,13H,11-12H2,1-4H3,(H,23,26)
InChIKeyBDBLUUCWTSBAMY-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.43
Rot. Bonds6

About N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46976122) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46976122
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1ccc(OCCN(C)C)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C21H24N4O3/c1-14-9-10-18(28-12-11-24(2)3)16(13-14)23-20(26)19-21(27)25(4)17-8-6-5-7-15(17)22-19/h5-10,13H,11-12H2,1-4H3,(H,23,26)
InChIKeyBDBLUUCWTSBAMY-UHFFFAOYSA-N
XLogP2.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
2-[2-(dimethylamino)ethoxy]-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 46970461
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46976122) is N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is Cc1ccc(OCCN(C)C)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is BDBLUUCWTSBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-9-10-18(28-12-11-24(2)3)16(13-14)23-20(26)19-21(27)25(4)17-8-6-5-7-15(17)22-19/h5-10,13H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).