2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen

C14H19ClN2O2 — CID 145328642

IUPAC2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
SMILESC/C=C(\OC)C1CNc2ccccc2N1C(=O)CCl.[H][H]
InChIInChI=1S/C14H17ClN2O2.H2/c1-3-13(19-2)12-9-16-10-6-4-5-7-11(10)17(12)14(18)8-15;/h3-7,12,16H,8-9H2,1-2H3;1H/b13-3-;
InChIKeyVXLGQAPQBDCOKU-OUPYKXEUSA-N
MW282.77 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen

2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen (PubChem CID 145328642) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
PubChem CID145328642
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
SMILESC/C=C(\OC)C1CNc2ccccc2N1C(=O)CCl.[H][H]
InChIInChI=1S/C14H17ClN2O2.H2/c1-3-13(19-2)12-9-16-10-6-4-5-7-11(10)17(12)14(18)8-15;/h3-7,12,16H,8-9H2,1-2H3;1H/b13-3-;
InChIKeyVXLGQAPQBDCOKU-OUPYKXEUSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen with MolForge

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Related Compounds

methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 174810540
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
2-chloro-1-[(2S)-2-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]ethanone;ethane
CID 90976453
(6S)-5-(2-chloroacetyl)-6-ethyl-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 41090060
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 2465943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen?
The IUPAC name of 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen (CID 145328642) is 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen.
What is the SMILES notation for 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen?
The canonical SMILES for 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen is C/C=C(\OC)C1CNc2ccccc2N1C(=O)CCl.[H][H].
What is the InChIKey of 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen?
The InChIKey is VXLGQAPQBDCOKU-OUPYKXEUSA-N. The full InChI is InChI=1S/C14H17ClN2O2.H2/c1-3-13(19-2)12-9-16-10-6-4-5-7-11(10)17(12)14(18)8-15;/h3-7,12,16H,8-9H2,1-2H3;1H/b13-3-;.
What are the key properties of 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen?
2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen has a molecular weight of 282.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 145328642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).