2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

C19H29N3O3 — CID 15988754

IUPAC2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)CC1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O
InChIInChI=1S/C19H29N3O3/c1-12(2)10-17-19(24)22-16-11-14(6-7-15(16)21-17)18(23)20-8-5-9-25-13(3)4/h6-7,11-13,17,21H,5,8-10H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyRKHWHNATYPIXNR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.01
Rot. Bonds8

About 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 15988754) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID15988754
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)CC1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O
InChIInChI=1S/C19H29N3O3/c1-12(2)10-17-19(24)22-16-11-14(6-7-15(16)21-17)18(23)20-8-5-9-25-13(3)4/h6-7,11-13,17,21H,5,8-10H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyRKHWHNATYPIXNR-UHFFFAOYSA-N
XLogP3.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-Propyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
CID 11624098
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
4-(acetylamino)-N-(3-isopropoxypropyl)benzamide
CID 2228400
7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 22427099
3-amino-4-(cyclooctylamino)-N-ethylbenzamide
CID 71767078
N-cyclopentyl-4-cyclopropyl-N,1,3-trimethyl-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296524
4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
CID 142296525
4-cyclopropyl-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296533
4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296538
4-cyclopropyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296540
4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296546
4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296553

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 15988754) is 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is CC(C)CC1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is RKHWHNATYPIXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-12(2)10-17-19(24)22-16-11-14(6-7-15(16)21-17)18(23)20-8-5-9-25-13(3)4/h6-7,11-13,17,21H,5,8-10H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 15988754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).