N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C22H26N4O5 — CID 73401825

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C22H26N4O5/c1-14(21(28)23-11-10-15-8-9-18(30-2)19(12-15)31-3)24-22(29)26-13-20(27)25-16-6-4-5-7-17(16)26/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyRVPDRYBYQMXAJZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.92
Rot. Bonds7

About N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 73401825) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID73401825
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C22H26N4O5/c1-14(21(28)23-11-10-15-8-9-18(30-2)19(12-15)31-3)24-22(29)26-13-20(27)25-16-6-4-5-7-17(16)26/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyRVPDRYBYQMXAJZ-UHFFFAOYSA-N
XLogP1.92
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 124651411
4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 132762267
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
4-[(2S)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8680555
2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
CID 73256553
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 73401825) is N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is COc1ccc(CCNC(=O)C(C)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is RVPDRYBYQMXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14(21(28)23-11-10-15-8-9-18(30-2)19(12-15)31-3)24-22(29)26-13-20(27)25-16-6-4-5-7-17(16)26/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 73401825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).