disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide

C133H104ClN17Na2O18 — CID 157234342

IUPACdisodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide
SMILESCC(=O)c1ccccn1.CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1.COC(=O)c1cc(-c2ccccn2)nc2ccccc12.O=C(Cl)c1cc(-c2ccccn2)nc2ccccc12.O=C(O)c1cc(-c2ccccn2)nc2ccccc12.O=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12.O=C([O-])c1cc(-c2ccccn2)nc2ccccc12.O=C1Nc2ccccc2C1=O.OCCO.OCc1cc(-c2ccccn2)nc2ccccc12.[Na+].[Na+].[OH-]
InChIInChI=1S/C23H19N3O.C17H14N2O3.C16H12N2O2.C15H9ClN2O.2C15H10N2O2.C15H12N2O.C8H5NO2.C7H7NO.C2H6O2.2Na.H2O/c1-16(17-9-3-2-4-10-17)25-23(27)19-15-22(21-13-7-8-14-24-21)26-20-12-6-5-11-18(19)20;20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14;1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13;16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12;2*18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;18-10-11-9-15(14-7-3-4-8-16-14)17-13-6-2-1-5-12(11)13;10-7-5-3-1-2-4-6(5)9-8(7)11;1-6(9)7-4-2-3-5-8-7;3-1-2-4;;;/h2-16H,1H3,(H,25,27);1-8,11,20H,9-10H2;2-10H,1H3;1-9H;2*1-9H,(H,18,19);1-9,18H,10H2;1-4H,(H,9,10,11);2-5H,1H3;3-4H,1-2H2;;;1H2/q;;;;;;;;;;2*+1;/p-2
InChIKeyAULPOCJBAJLDEM-UHFFFAOYSA-L
MW2309.83 g/mol
LogP16.35
Rot. Bonds20

About disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide

disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide (PubChem CID 157234342) has the molecular formula C133H104ClN17Na2O18 and a molecular weight of 2309.83 g/mol. Its IUPAC name is disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide.

Molecular Properties

Compound Namedisodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide
PubChem CID157234342
Molecular FormulaC133H104ClN17Na2O18
Molecular Weight2309.83 g/mol
Exact Mass2307.72
IUPAC Namedisodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide
SMILESCC(=O)c1ccccn1.CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1.COC(=O)c1cc(-c2ccccn2)nc2ccccc12.O=C(Cl)c1cc(-c2ccccn2)nc2ccccc12.O=C(O)c1cc(-c2ccccn2)nc2ccccc12.O=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12.O=C([O-])c1cc(-c2ccccn2)nc2ccccc12.O=C1Nc2ccccc2C1=O.OCCO.OCc1cc(-c2ccccn2)nc2ccccc12.[Na+].[Na+].[OH-]
InChIInChI=1S/C23H19N3O.C17H14N2O3.C16H12N2O2.C15H9ClN2O.2C15H10N2O2.C15H12N2O.C8H5NO2.C7H7NO.C2H6O2.2Na.H2O/c1-16(17-9-3-2-4-10-17)25-23(27)19-15-22(21-13-7-8-14-24-21)26-20-12-6-5-11-18(19)20;20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14;1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13;16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12;2*18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;18-10-11-9-15(14-7-3-4-8-16-14)17-13-6-2-1-5-12(11)13;10-7-5-3-1-2-4-6(5)9-8(7)11;1-6(9)7-4-2-3-5-8-7;3-1-2-4;;;/h2-16H,1H3,(H,25,27);1-8,11,20H,9-10H2;2-10H,1H3;1-9H;2*1-9H,(H,18,19);1-9,18H,10H2;1-4H,(H,9,10,11);2-5H,1H3;3-4H,1-2H2;;;1H2/q;;;;;;;;;;2*+1;/p-2
InChIKeyAULPOCJBAJLDEM-UHFFFAOYSA-L
XLogP16.35
TPSA543.71 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.83
LogP ≤ 516.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide with MolForge

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Related Compounds

magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide
CID 157465810
ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-phenylquinoline-3-carboxylate;N-methoxy-N-methyl-4-phenylquinoline-3-carboxamide;4-phenylquinoline-3-carboxylic acid;1-(4-phenylquinolin-3-yl)ethanone;(E)-1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one;pyridine-2-carbaldehyde
CID 157931604
(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
CID 158987665
acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one
CID 159354240
magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide
CID 159519694
tert-butyl 5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoate;methyl 2-chloro-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylate;methyl 3-oxo-2-phenyl-4H-1,7-naphthyridine-6-carboxylate;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[3,4-b]pyrazine-7-carboxylic acid;5-[3-phenyl-7-(1-phenylethylcarbamoyl)pyrido[3,4-b]pyrazin-2-yl]pentanoic acid
CID 159700532
tert-butyl N-[(2S)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate;5-fluoro-1H-indole-2,3-dione;6-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-ylquinoline-4-carboxylic acid
CID 159750429
ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine
CID 161004918

Frequently Asked Questions

What is the IUPAC name of disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide?
The IUPAC name of disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide (CID 157234342) is disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide.
What is the SMILES notation for disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide?
The canonical SMILES for disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide is CC(=O)c1ccccn1.CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1.COC(=O)c1cc(-c2ccccn2)nc2ccccc12.O=C(Cl)c1cc(-c2ccccn2)nc2ccccc12.O=C(O)c1cc(-c2ccccn2)nc2ccccc12.O=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12.O=C([O-])c1cc(-c2ccccn2)nc2ccccc12.O=C1Nc2ccccc2C1=O.OCCO.OCc1cc(-c2ccccn2)nc2ccccc12.[Na+].[Na+].[OH-].
What is the InChIKey of disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide?
The InChIKey is AULPOCJBAJLDEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H19N3O.C17H14N2O3.C16H12N2O2.C15H9ClN2O.2C15H10N2O2.C15H12N2O.C8H5NO2.C7H7NO.C2H6O2.2Na.H2O/c1-16(17-9-3-2-4-10-17)25-23(27)19-15-22(21-13-7-8-14-24-21)26-20-12-6-5-11-18(19)20;20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14;1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13;16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12;2*18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;18-10-11-9-15(14-7-3-4-8-16-14)17-13-6-2-1-5-12(11)13;10-7-5-3-1-2-4-6(5)9-8(7)11;1-6(9)7-4-2-3-5-8-7;3-1-2-4;;;/h2-16H,1H3,(H,25,27);1-8,11,20H,9-10H2;2-10H,1H3;1-9H;2*1-9H,(H,18,19);1-9,18H,10H2;1-4H,(H,9,10,11);2-5H,1H3;3-4H,1-2H2;;;1H2/q;;;;;;;;;;2*+1;/p-2.
What are the key properties of disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide?
disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide has a molecular weight of 2309.83 g/mol, XLogP of 16.35, 20 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide is sourced from PubChem (CID 157234342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).