carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline

C135H122N26O5 — CID 159437501

IUPACcarbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline
SMILESCC(=O)Cc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.Cc1c(C#N)c(-c2ccco2)nn1-c1cnc2ccccc2n1.Cc1cc(C)n(-c2cnc3ccccc3c2)n1.Cc1cc(C)n(-c2cnc3ccccc3n2)n1.Cc1cc(COCCN2CCCCC2)nn1-c1cnc2ccccc2c1.O=C=O
InChIInChI=1S/C26H22N4.C22H19N3O.C21H26N4O.C21H19N3.C17H11N5O.C14H13N3.C13H12N4.CO2/c1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-15(26)14-19-16(2)25(24-22(19)17-8-4-3-5-9-17)21-12-13-23-20-11-7-6-10-18(20)21;1-17-13-19(16-26-12-11-24-9-5-2-6-10-24)23-25(17)20-14-18-7-3-4-8-21(18)22-15-20;1-3-17-15(2)24(23-21(17)16-9-5-4-6-10-16)20-13-14-22-19-12-8-7-11-18(19)20;1-11-12(9-18)17(15-7-4-8-23-15)21-22(11)16-10-19-13-5-2-3-6-14(13)20-16;1-10-7-11(2)17(16-10)13-8-12-5-3-4-6-14(12)15-9-13;1-9-7-10(2)17(16-9)13-8-14-11-5-3-4-6-12(11)15-13;2-1-3/h3-18,28H,2H2,1H3;3-13H,14H2,1-2H3;3-4,7-8,13-15H,2,5-6,9-12,16H2,1H3;4-14H,3H2,1-2H3;2-8,10H,1H3;3-9H,1-2H3;3-8H,1-2H3;
InChIKeyLRTJSDAQHUQOGV-UHFFFAOYSA-N
MW2188.64 g/mol
LogP27.75
Rot. Bonds22

About carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline

carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline (PubChem CID 159437501) has the molecular formula C135H122N26O5 and a molecular weight of 2188.64 g/mol. Its IUPAC name is carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline.

Molecular Properties

Compound Namecarbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline
PubChem CID159437501
Molecular FormulaC135H122N26O5
Molecular Weight2188.64 g/mol
Exact Mass2187.01
IUPAC Namecarbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline
SMILESCC(=O)Cc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.Cc1c(C#N)c(-c2ccco2)nn1-c1cnc2ccccc2n1.Cc1cc(C)n(-c2cnc3ccccc3c2)n1.Cc1cc(C)n(-c2cnc3ccccc3n2)n1.Cc1cc(COCCN2CCCCC2)nn1-c1cnc2ccccc2c1.O=C=O
InChIInChI=1S/C26H22N4.C22H19N3O.C21H26N4O.C21H19N3.C17H11N5O.C14H13N3.C13H12N4.CO2/c1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-15(26)14-19-16(2)25(24-22(19)17-8-4-3-5-9-17)21-12-13-23-20-11-7-6-10-18(20)21;1-17-13-19(16-26-12-11-24-9-5-2-6-10-24)23-25(17)20-14-18-7-3-4-8-21(18)22-15-20;1-3-17-15(2)24(23-21(17)16-9-5-4-6-10-16)20-13-14-22-19-12-8-7-11-18(19)20;1-11-12(9-18)17(15-7-4-8-23-15)21-22(11)16-10-19-13-5-2-3-6-14(13)20-16;1-10-7-11(2)17(16-10)13-8-12-5-3-4-6-14(12)15-9-13;1-9-7-10(2)17(16-9)13-8-14-11-5-3-4-6-12(11)15-13;2-1-3/h3-18,28H,2H2,1H3;3-13H,14H2,1-2H3;3-4,7-8,13-15H,2,5-6,9-12,16H2,1H3;4-14H,3H2,1-2H3;2-8,10H,1H3;3-9H,1-2H3;3-8H,1-2H3;
InChIKeyLRTJSDAQHUQOGV-UHFFFAOYSA-N
XLogP27.75
TPSA353.39 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002188.64
LogP ≤ 527.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline with MolForge

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Related Compounds

4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 159168857
N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 160776565
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 162092802
10-[2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;6,7,8,9-tetrahydropyrido[4,3-b][1,6]naphthyridine
CID 157210730
2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 157318451
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 157533561
2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline
CID 157953978
7-(1,3-dimethylimidazol-1-ium-2-yl)-8-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,3-dimethyl-2-(7-methylindolizin-8-yl)benzimidazol-3-ium;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]-2-methylindolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine
CID 159133761
9-(4-tert-butyl-2-pyridinyl)-2-[2-fluoro-3-isocyano-5-(1-methylpyrrolo[2,3-c]pyridin-5-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-7-(3-furo[2,3-c]pyridin-5-ylbenzene-2-id-1-yl)oxy-8H-carbazol-8-ide-3,5-dicarbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-isocyano-5-(1-phenylpyrrolo[2,3-c]pyridin-5-yl)benzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-isocyano-5-(1,2,3-trimethylpyrrolo[2,3-c]pyridin-5-yl)benzene-6-id-1-yl]oxy-8H-carbazol-8-ide-2-carbonitrile;2-[3-isocyano-5-(1-methylpyrrolo[2,3-c]pyridin-5-yl)benzene-6-id-1-yl]oxy-9-[5-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 159742953
6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 159773898
3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylindolizine;(2S)-1,2-dimethyl-3-(8-methylindolizin-1-yl)-2H-benzimidazole;1,2-dimethyl-3-(1-methylindolizin-2-yl)benzotriazole;1-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]indolizine;2-methyl-1-(1-methylindolizin-8-yl)-[1]benzofuro[2,3-c]pyridin-2-ium;3-methyl-2-(2-methylpyrazol-2-ium-1-yl)indolizine
CID 159790988
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 160218953

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline?
The IUPAC name of carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline (CID 159437501) is carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline.
What is the SMILES notation for carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline?
The canonical SMILES for carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline is CC(=O)Cc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1c(-c2ccccc2)nn(-c2ccnc3ccccc23)c1C.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.Cc1c(C#N)c(-c2ccco2)nn1-c1cnc2ccccc2n1.Cc1cc(C)n(-c2cnc3ccccc3c2)n1.Cc1cc(C)n(-c2cnc3ccccc3n2)n1.Cc1cc(COCCN2CCCCC2)nn1-c1cnc2ccccc2c1.O=C=O.
What is the InChIKey of carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline?
The InChIKey is LRTJSDAQHUQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4.C22H19N3O.C21H26N4O.C21H19N3.C17H11N5O.C14H13N3.C13H12N4.CO2/c1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-15(26)14-19-16(2)25(24-22(19)17-8-4-3-5-9-17)21-12-13-23-20-11-7-6-10-18(20)21;1-17-13-19(16-26-12-11-24-9-5-2-6-10-24)23-25(17)20-14-18-7-3-4-8-21(18)22-15-20;1-3-17-15(2)24(23-21(17)16-9-5-4-6-10-16)20-13-14-22-19-12-8-7-11-18(19)20;1-11-12(9-18)17(15-7-4-8-23-15)21-22(11)16-10-19-13-5-2-3-6-14(13)20-16;1-10-7-11(2)17(16-10)13-8-12-5-3-4-6-14(12)15-9-13;1-9-7-10(2)17(16-9)13-8-14-11-5-3-4-6-12(11)15-13;2-1-3/h3-18,28H,2H2,1H3;3-13H,14H2,1-2H3;3-4,7-8,13-15H,2,5-6,9-12,16H2,1H3;4-14H,3H2,1-2H3;2-8,10H,1H3;3-9H,1-2H3;3-8H,1-2H3;.
What are the key properties of carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline?
carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline has a molecular weight of 2188.64 g/mol, XLogP of 27.75, 22 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(3,5-dimethylpyrazol-1-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)quinoxaline;4-(4-ethyl-5-methyl-3-phenylpyrazol-1-yl)quinoline;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;3-(furan-2-yl)-5-methyl-1-quinoxalin-2-ylpyrazole-4-carbonitrile;1-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)propan-2-one;3-[5-methyl-3-(2-piperidin-1-ylethoxymethyl)pyrazol-1-yl]quinoline is sourced from PubChem (CID 159437501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).