lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide

C33H44LiN8O10S2- — CID 159495675

IUPAClithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3ccccc23)C1.Cc1ccc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2c1.O=C=O.O=C=O.[Li+].[OH-].[OH-]
InChIInChI=1S/C16H22N4O2S.C15H20N4O2S.2CO2.Li.2H2O/c1-12-5-6-15-14(8-12)16(18-11-17-15)20-7-3-4-13(10-20)9-19-23(2,21)22;1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15;2*2-1-3;;;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3;2-3,6-7,11-12,18H,4-5,8-10H2,1H3;;;;2*1H2/q;;;;+1;;/p-2
InChIKeyHWEIHILRVZIUBJ-UHFFFAOYSA-L
MW783.84 g/mol
LogP-1.42
Rot. Bonds8

About lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide

lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide (PubChem CID 159495675) has the molecular formula C33H44LiN8O10S2- and a molecular weight of 783.84 g/mol. Its IUPAC name is lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide.

Molecular Properties

Compound Namelithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide
PubChem CID159495675
Molecular FormulaC33H44LiN8O10S2-
Molecular Weight783.84 g/mol
Exact Mass783.28
IUPAC Namelithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3ccccc23)C1.Cc1ccc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2c1.O=C=O.O=C=O.[Li+].[OH-].[OH-]
InChIInChI=1S/C16H22N4O2S.C15H20N4O2S.2CO2.Li.2H2O/c1-12-5-6-15-14(8-12)16(18-11-17-15)20-7-3-4-13(10-20)9-19-23(2,21)22;1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15;2*2-1-3;;;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3;2-3,6-7,11-12,18H,4-5,8-10H2,1H3;;;;2*1H2/q;;;;+1;;/p-2
InChIKeyHWEIHILRVZIUBJ-UHFFFAOYSA-L
XLogP-1.42
TPSA278.66 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.84
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233341
N-[3-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3234746
N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-pyridinyl]quinolin-7-amine
CID 59548267
N-[3-[4-(piperidin-4-ylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233392
N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide
CID 3234955
US10087148, Example 2
CID 121378073
US10087148, Example 10
CID 121378086
US10087148, Example 8
CID 121378089
US10087148, Example 25
CID 121378099
US10087148, Example 35
CID 121378124
(R)-N-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-2-yl)quinolin-7-amine 2,2,2-trifluoroacetate
CID 66611404
N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-pyridinyl]quinolin-7-amine;2,2,2-trifluoroacetic acid
CID 66611405

Frequently Asked Questions

What is the IUPAC name of lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide?
The IUPAC name of lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide (CID 159495675) is lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide.
What is the SMILES notation for lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide?
The canonical SMILES for lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide is CS(=O)(=O)NCC1CCCN(c2ncnc3ccccc23)C1.Cc1ccc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2c1.O=C=O.O=C=O.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide?
The InChIKey is HWEIHILRVZIUBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22N4O2S.C15H20N4O2S.2CO2.Li.2H2O/c1-12-5-6-15-14(8-12)16(18-11-17-15)20-7-3-4-13(10-20)9-19-23(2,21)22;1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15;2*2-1-3;;;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3;2-3,6-7,11-12,18H,4-5,8-10H2,1H3;;;;2*1H2/q;;;;+1;;/p-2.
What are the key properties of lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide?
lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide has a molecular weight of 783.84 g/mol, XLogP of -1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide is sourced from PubChem (CID 159495675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).