N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane

C25H36N6O4S — CID 158498341

IUPACN-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane
SMILESC.COc1ccc(OC)c(S(=O)(=O)NCC2CCC(CNc3nc(NN)c4ccccc4n3)CC2)c1
InChIInChI=1S/C24H32N6O4S.CH4/c1-33-18-11-12-21(34-2)22(13-18)35(31,32)27-15-17-9-7-16(8-10-17)14-26-24-28-20-6-4-3-5-19(20)23(29-24)30-25;/h3-6,11-13,16-17,27H,7-10,14-15,25H2,1-2H3,(H2,26,28,29,30);1H4
InChIKeyHJONFXMRFNJBHL-UHFFFAOYSA-N
MW516.67 g/mol
LogP3.77
Rot. Bonds10

About N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane

N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane (PubChem CID 158498341) has the molecular formula C25H36N6O4S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane.

Molecular Properties

Compound NameN-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane
PubChem CID158498341
Molecular FormulaC25H36N6O4S
Molecular Weight516.67 g/mol
Exact Mass516.25
IUPAC NameN-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane
SMILESC.COc1ccc(OC)c(S(=O)(=O)NCC2CCC(CNc3nc(NN)c4ccccc4n3)CC2)c1
InChIInChI=1S/C24H32N6O4S.CH4/c1-33-18-11-12-21(34-2)22(13-18)35(31,32)27-15-17-9-7-16(8-10-17)14-26-24-28-20-6-4-3-5-19(20)23(29-24)30-25;/h3-6,11-13,16-17,27H,7-10,14-15,25H2,1-2H3,(H2,26,28,29,30);1H4
InChIKeyHJONFXMRFNJBHL-UHFFFAOYSA-N
XLogP3.77
TPSA140.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.67
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane with MolForge

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Related Compounds

N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide;methane
CID 159875689
N-[[4-[[(4-amino-5-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 54213933
N-[[4-[[[4-(3-methoxyanilino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 159862743
methane;N-[[4-[[[4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 159709735
3,5-dichloro-N-[[4-[[[4-(3-methoxyanilino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 162311073
N-[[4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 139925321
[4-[[4-[[[4-(4-chloroanilino)quinazolin-2-yl]amino]methyl]cyclohexyl]methylsulfamoyl]phenyl] hypofluorite
CID 71213390
N-[[4-[[[4-(cyclohexylmethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158439299
4-tert-butyl-N-[[4-[[[4-(methylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 159445488
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
N-[[4-[[[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;methane
CID 160606134
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane?
The IUPAC name of N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane (CID 158498341) is N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane.
What is the SMILES notation for N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane?
The canonical SMILES for N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane is C.COc1ccc(OC)c(S(=O)(=O)NCC2CCC(CNc3nc(NN)c4ccccc4n3)CC2)c1.
What is the InChIKey of N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane?
The InChIKey is HJONFXMRFNJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4S.CH4/c1-33-18-11-12-21(34-2)22(13-18)35(31,32)27-15-17-9-7-16(8-10-17)14-26-24-28-20-6-4-3-5-19(20)23(29-24)30-25;/h3-6,11-13,16-17,27H,7-10,14-15,25H2,1-2H3,(H2,26,28,29,30);1H4.
What are the key properties of N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane?
N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane has a molecular weight of 516.67 g/mol, XLogP of 3.77, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-2,5-dimethoxybenzenesulfonamide;methane is sourced from PubChem (CID 158498341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).