3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride

C33H31Cl6N7O5 — CID 157460259

IUPAC3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride
SMILESC.CCOC.CON(C)C(=O)c1ccc2ncc(Cl)nc2c1.Cl.O=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1
InChIInChI=1S/C11H10ClN3O2.2C9H4Cl2N2O.C3H8O.CH4.ClH/c1-15(17-2)11(16)7-3-4-8-9(5-7)14-10(12)6-13-8;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;1-3-4-2;;/h3-6H,1-2H3;2*1-4H;3H2,1-2H3;1H4;1H
InChIKeyGWGUAHPKFONXKA-UHFFFAOYSA-N
MW818.37 g/mol
LogP8.95
Rot. Bonds5

About 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride

3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride (PubChem CID 157460259) has the molecular formula C33H31Cl6N7O5 and a molecular weight of 818.37 g/mol. Its IUPAC name is 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride
PubChem CID157460259
Molecular FormulaC33H31Cl6N7O5
Molecular Weight818.37 g/mol
Exact Mass815.05
IUPAC Name3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride
SMILESC.CCOC.CON(C)C(=O)c1ccc2ncc(Cl)nc2c1.Cl.O=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1
InChIInChI=1S/C11H10ClN3O2.2C9H4Cl2N2O.C3H8O.CH4.ClH/c1-15(17-2)11(16)7-3-4-8-9(5-7)14-10(12)6-13-8;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;1-3-4-2;;/h3-6H,1-2H3;2*1-4H;3H2,1-2H3;1H4;1H
InChIKeyGWGUAHPKFONXKA-UHFFFAOYSA-N
XLogP8.95
TPSA150.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.37
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride with MolForge

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Related Compounds

methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide
CID 172583032
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
N-[2,4-difluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide;methoxyethane;N-methoxy-N-methylquinoxaline-6-carboxamide;quinoxaline-6-carboxylic acid
CID 158090082
magnesium;2H-benzotriazole-5-carboxylic acid;1-(2H-benzotriazol-5-yl)-2-bromoethanone;1-(2H-benzotriazol-5-yl)ethanone;carbanide;hydride;methoxyethane;N-methoxy-N-methyl-2H-benzotriazole-5-carboxamide;hydrobromide;hydrochloride
CID 159651269
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
N-methoxy-N-methyl-6-propylpyridine-3-carboxamide
CID 118255839
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
3-(methoxymethyl)quinoxaline-6-carboxamide
CID 175844720

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride?
The IUPAC name of 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride (CID 157460259) is 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride.
What is the SMILES notation for 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride?
The canonical SMILES for 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride is C.CCOC.CON(C)C(=O)c1ccc2ncc(Cl)nc2c1.Cl.O=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1.
What is the InChIKey of 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride?
The InChIKey is GWGUAHPKFONXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2.2C9H4Cl2N2O.C3H8O.CH4.ClH/c1-15(17-2)11(16)7-3-4-8-9(5-7)14-10(12)6-13-8;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;1-3-4-2;;/h3-6H,1-2H3;2*1-4H;3H2,1-2H3;1H4;1H.
What are the key properties of 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride?
3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride has a molecular weight of 818.37 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride is sourced from PubChem (CID 157460259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).