2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide

C15H19N3O2 — CID 7455813

IUPAC2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C15H19N3O2/c1-4-5-16-14(19)8-13-15(20)18-12-7-10(3)9(2)6-11(12)17-13/h4,6-7,13,17H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/t13-/m0/s1
InChIKeySDZBTPJTVVTJFI-ZDUSSCGKSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide (PubChem CID 7455813) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide
PubChem CID7455813
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C15H19N3O2/c1-4-5-16-14(19)8-13-15(20)18-12-7-10(3)9(2)6-11(12)17-13/h4,6-7,13,17H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/t13-/m0/s1
InChIKeySDZBTPJTVVTJFI-ZDUSSCGKSA-N
XLogP1.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide (CID 7455813) is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O.
What is the InChIKey of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide?
The InChIKey is SDZBTPJTVVTJFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-5-16-14(19)8-13-15(20)18-12-7-10(3)9(2)6-11(12)17-13/h4,6-7,13,17H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/t13-/m0/s1.
What are the key properties of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide?
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 7455813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).