dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate

C67H77ClK2N9NaO15 — CID 159993430

IUPACdipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate
SMILESCO.COC(=O)c1ccc2nc(-c3ccccc3)c(Cl)nc2c1.COC[C@H]1CCCN1.COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.COC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccccc1.O.O=CO[O-].[H-].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/C22H23N3O3.C21H21N3O3.C16H11ClN2O2.C6H13NO.CH2O3.CH4O.2K.Na.2H2O.H/c1-27-14-17-9-6-12-25(17)21-20(15-7-4-3-5-8-15)23-18-11-10-16(22(26)28-2)13-19(18)24-21;1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-8-5-6-3-2-4-7-6;2-1-4-3;1-2;;;;;;/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3;2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26);2-9H,1H3;6-7H,2-5H2,1H3;1,3H;2H,1H3;;;;2*1H2;/q;;;;;;3*+1;;;-1/p-2/t17-;16-;;6-;;;;;;;;/m11.1......../s1
InChIKeyDSYUJJCVJDSULM-GGXKMYAESA-L
MW1385.04 g/mol
LogP-0.40
Rot. Bonds15

About dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate

dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate (PubChem CID 159993430) has the molecular formula C67H77ClK2N9NaO15 and a molecular weight of 1385.04 g/mol. Its IUPAC name is dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate.

Molecular Properties

Compound Namedipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate
PubChem CID159993430
Molecular FormulaC67H77ClK2N9NaO15
Molecular Weight1385.04 g/mol
Exact Mass1383.44
IUPAC Namedipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate
SMILESCO.COC(=O)c1ccc2nc(-c3ccccc3)c(Cl)nc2c1.COC[C@H]1CCCN1.COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.COC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccccc1.O.O=CO[O-].[H-].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/C22H23N3O3.C21H21N3O3.C16H11ClN2O2.C6H13NO.CH2O3.CH4O.2K.Na.2H2O.H/c1-27-14-17-9-6-12-25(17)21-20(15-7-4-3-5-8-15)23-18-11-10-16(22(26)28-2)13-19(18)24-21;1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-8-5-6-3-2-4-7-6;2-1-4-3;1-2;;;;;;/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3;2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26);2-9H,1H3;6-7H,2-5H2,1H3;1,3H;2H,1H3;;;;2*1H2;/q;;;;;;3*+1;;;-1/p-2/t17-;16-;;6-;;;;;;;;/m11.1......../s1
InChIKeyDSYUJJCVJDSULM-GGXKMYAESA-L
XLogP-0.40
TPSA344.53 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.04
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate?
The IUPAC name of dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate (CID 159993430) is dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate.
What is the SMILES notation for dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate?
The canonical SMILES for dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate is CO.COC(=O)c1ccc2nc(-c3ccccc3)c(Cl)nc2c1.COC[C@H]1CCCN1.COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.COC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccccc1.O.O=CO[O-].[H-].[K+].[K+].[Na+].[OH-].
What is the InChIKey of dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate?
The InChIKey is DSYUJJCVJDSULM-GGXKMYAESA-L. The full InChI is InChI=1S/C22H23N3O3.C21H21N3O3.C16H11ClN2O2.C6H13NO.CH2O3.CH4O.2K.Na.2H2O.H/c1-27-14-17-9-6-12-25(17)21-20(15-7-4-3-5-8-15)23-18-11-10-16(22(26)28-2)13-19(18)24-21;1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-8-5-6-3-2-4-7-6;2-1-4-3;1-2;;;;;;/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3;2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26);2-9H,1H3;6-7H,2-5H2,1H3;1,3H;2H,1H3;;;;2*1H2;/q;;;;;;3*+1;;;-1/p-2/t17-;16-;;6-;;;;;;;;/m11.1......../s1.
What are the key properties of dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate?
dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate has a molecular weight of 1385.04 g/mol, XLogP of -0.40, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;hydride;methanol;(2R)-2-(methoxymethyl)pyrrolidine;3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate;oxido formate;hydroxide;hydrate is sourced from PubChem (CID 159993430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).