lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide

C71H64LiN9O11 — CID 158834675

IUPAClithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide
SMILESCOC(=O)c1ccc(C(Nc2ccccn2)c2c(C)cc3cccnc3c2O)cc1.Cc1cc(O)c2ncccc2c1.Cc1cc2cccnc2c(O)c1C(Nc1ccccn1)c1ccc(C(=O)O)cc1.Cc1ccc(C=O)cc1.Nc1ccccn1.O=C=O.[Li+].[OH-]
InChIInChI=1S/C24H21N3O3.C23H19N3O3.C10H9NO.C8H8O.C5H6N2.CO2.Li.H2O/c1-15-14-18-6-5-13-26-22(18)23(28)20(15)21(27-19-7-3-4-12-25-19)16-8-10-17(11-9-16)24(29)30-2;1-14-13-17-5-4-12-25-21(17)22(27)19(14)20(26-18-6-2-3-11-24-18)15-7-9-16(10-8-15)23(28)29;1-7-5-8-3-2-4-11-10(8)9(12)6-7;1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-7-5;2-1-3;;/h3-14,21,28H,1-2H3,(H,25,27);2-13,20,27H,1H3,(H,24,26)(H,28,29);2-6,12H,1H3;2-6H,1H3;1-4H,(H2,6,7);;;1H2/q;;;;;;+1;/p-1
InChIKeyIXMFBQZACYTIAV-UHFFFAOYSA-M
MW1226.29 g/mol
LogP10.14
Rot. Bonds11

About lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide

lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide (PubChem CID 158834675) has the molecular formula C71H64LiN9O11 and a molecular weight of 1226.29 g/mol. Its IUPAC name is lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide.

Molecular Properties

Compound Namelithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide
PubChem CID158834675
Molecular FormulaC71H64LiN9O11
Molecular Weight1226.29 g/mol
Exact Mass1225.49
IUPAC Namelithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide
SMILESCOC(=O)c1ccc(C(Nc2ccccn2)c2c(C)cc3cccnc3c2O)cc1.Cc1cc(O)c2ncccc2c1.Cc1cc2cccnc2c(O)c1C(Nc1ccccn1)c1ccc(C(=O)O)cc1.Cc1ccc(C=O)cc1.Nc1ccccn1.O=C=O.[Li+].[OH-]
InChIInChI=1S/C24H21N3O3.C23H19N3O3.C10H9NO.C8H8O.C5H6N2.CO2.Li.H2O/c1-15-14-18-6-5-13-26-22(18)23(28)20(15)21(27-19-7-3-4-12-25-19)16-8-10-17(11-9-16)24(29)30-2;1-14-13-17-5-4-12-25-21(17)22(27)19(14)20(26-18-6-2-3-11-24-18)15-7-9-16(10-8-15)23(28)29;1-7-5-8-3-2-4-11-10(8)9(12)6-7;1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-7-5;2-1-3;;/h3-14,21,28H,1-2H3,(H,25,27);2-13,20,27H,1H3,(H,24,26)(H,28,29);2-6,12H,1H3;2-6H,1H3;1-4H,(H2,6,7);;;1H2/q;;;;;;+1;/p-1
InChIKeyIXMFBQZACYTIAV-UHFFFAOYSA-M
XLogP10.14
TPSA332.92 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.29
LogP ≤ 510.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide with MolForge

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Related Compounds

7-[[[4-[2,5-Difluoro-3-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenyl]-3-methyl-2-pyridinyl]amino]-phenylmethyl]-5-[4-[(8-hydroxyquinolin-7-yl)-[(6-methoxy-2-pyridinyl)amino]methyl]phenyl]quinolin-8-ol
CID 146475074
5-Chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2-fluoro-4-methylphenyl)methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
CID 157279993
5-Chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;quinolin-8-ol;3-(trifluoromethyl)benzaldehyde
CID 157614200
7-[(4-Methylphenyl)-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;5-methylpyridin-2-amine;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde
CID 157671518
4-Chloropyridin-2-amine;7-[[(4-chloro-2-pyridinyl)amino]-(2-fluoro-4-methylphenyl)methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
CID 157836891
4-Chloropyridin-2-amine;7-[[(4-chloro-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
CID 157886767
4-Chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;methane;quinolin-8-ol
CID 157967964
5-Chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
CID 158066776
5-Chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol
CID 158114965
5-Chloropyridin-2-amine;7-[[(5-chloro-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde
CID 158126233
5-Chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde
CID 158211152
4-Chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol;2,8-dimethylquinoline;methane;4-methylpyridin-2-amine
CID 158549256

Frequently Asked Questions

What is the IUPAC name of lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide?
The IUPAC name of lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide (CID 158834675) is lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide.
What is the SMILES notation for lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide?
The canonical SMILES for lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide is COC(=O)c1ccc(C(Nc2ccccn2)c2c(C)cc3cccnc3c2O)cc1.Cc1cc(O)c2ncccc2c1.Cc1cc2cccnc2c(O)c1C(Nc1ccccn1)c1ccc(C(=O)O)cc1.Cc1ccc(C=O)cc1.Nc1ccccn1.O=C=O.[Li+].[OH-].
What is the InChIKey of lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide?
The InChIKey is IXMFBQZACYTIAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21N3O3.C23H19N3O3.C10H9NO.C8H8O.C5H6N2.CO2.Li.H2O/c1-15-14-18-6-5-13-26-22(18)23(28)20(15)21(27-19-7-3-4-12-25-19)16-8-10-17(11-9-16)24(29)30-2;1-14-13-17-5-4-12-25-21(17)22(27)19(14)20(26-18-6-2-3-11-24-18)15-7-9-16(10-8-15)23(28)29;1-7-5-8-3-2-4-11-10(8)9(12)6-7;1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-7-5;2-1-3;;/h3-14,21,28H,1-2H3,(H,25,27);2-13,20,27H,1H3,(H,24,26)(H,28,29);2-6,12H,1H3;2-6H,1H3;1-4H,(H2,6,7);;;1H2/q;;;;;;+1;/p-1.
What are the key properties of lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide?
lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide has a molecular weight of 1226.29 g/mol, XLogP of 10.14, 11 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbon dioxide;4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid;4-methylbenzaldehyde;methyl 4-[(8-hydroxy-6-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate;6-methylquinolin-8-ol;pyridin-2-amine;hydroxide is sourced from PubChem (CID 158834675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).