N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide

C16H17N5O2S — CID 30746930

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
SMILESCc1cnc2c(S(=O)(=O)NNc3nc(C)cc(C)n3)cccc2c1
InChIInChI=1S/C16H17N5O2S/c1-10-7-13-5-4-6-14(15(13)17-9-10)24(22,23)21-20-16-18-11(2)8-12(3)19-16/h4-9,21H,1-3H3,(H,18,19,20)
InChIKeyCSHZWHLWSVBMOV-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.26
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide (PubChem CID 30746930) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
PubChem CID30746930
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
SMILESCc1cnc2c(S(=O)(=O)NNc3nc(C)cc(C)n3)cccc2c1
InChIInChI=1S/C16H17N5O2S/c1-10-7-13-5-4-6-14(15(13)17-9-10)24(22,23)21-20-16-18-11(2)8-12(3)19-16/h4-9,21H,1-3H3,(H,18,19,20)
InChIKeyCSHZWHLWSVBMOV-UHFFFAOYSA-N
XLogP2.26
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide (CID 30746930) is N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide is Cc1cnc2c(S(=O)(=O)NNc3nc(C)cc(C)n3)cccc2c1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide?
The InChIKey is CSHZWHLWSVBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-7-13-5-4-6-14(15(13)17-9-10)24(22,23)21-20-16-18-11(2)8-12(3)19-16/h4-9,21H,1-3H3,(H,18,19,20).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide has a molecular weight of 343.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide is sourced from PubChem (CID 30746930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).