N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide

C16H23N3O2 — CID 15988748

IUPACN-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)C)N2
InChIInChI=1S/C16H23N3O2/c1-4-5-8-17-15(20)11-6-7-12-13(9-11)19-16(21)14(18-12)10(2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyALJMPJHDOTYLMP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.61
Rot. Bonds5

About N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 15988748) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID15988748
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)C)N2
InChIInChI=1S/C16H23N3O2/c1-4-5-8-17-15(20)11-6-7-12-13(9-11)19-16(21)14(18-12)10(2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyALJMPJHDOTYLMP-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 15988748) is N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide is CCCCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)C)N2.
What is the InChIKey of N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is ALJMPJHDOTYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-8-17-15(20)11-6-7-12-13(9-11)19-16(21)14(18-12)10(2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 15988748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).