2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C20H30N4O3 — CID 22427174

IUPAC2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCC(C)C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2NC1=O
InChIInChI=1S/C20H30N4O3/c1-3-14(2)18-20(26)23-17-13-15(5-6-16(17)22-18)19(25)21-7-4-8-24-9-11-27-12-10-24/h5-6,13-14,18,22H,3-4,7-12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyKUJSUZHKNNCGDX-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.92
Rot. Bonds7

About 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 22427174) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID22427174
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCC(C)C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2NC1=O
InChIInChI=1S/C20H30N4O3/c1-3-14(2)18-20(26)23-17-13-15(5-6-16(17)22-18)19(25)21-7-4-8-24-9-11-27-12-10-24/h5-6,13-14,18,22H,3-4,7-12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyKUJSUZHKNNCGDX-UHFFFAOYSA-N
XLogP1.92
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427177
(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 92695881
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349932
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 22427174) is 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is CCC(C)C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2NC1=O.
What is the InChIKey of 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is KUJSUZHKNNCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-14(2)18-20(26)23-17-13-15(5-6-16(17)22-18)19(25)21-7-4-8-24-9-11-27-12-10-24/h5-6,13-14,18,22H,3-4,7-12H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 374.49 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 2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 22427174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).