N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide

C18H20N4O3S — CID 91771801

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)c1
InChIInChI=1S/C18H20N4O3S/c1-22-10-17(20-11-22)26(24,25)21-18(13-7-15(23)8-13)14-6-12-4-2-3-5-16(12)19-9-14/h2-6,9-11,13,15,18,21,23H,7-8H2,1H3
InChIKeyVYKNIABUVMKEHW-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.76
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 91771801) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide
PubChem CID91771801
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)c1
InChIInChI=1S/C18H20N4O3S/c1-22-10-17(20-11-22)26(24,25)21-18(13-7-15(23)8-13)14-6-12-4-2-3-5-16(12)19-9-14/h2-6,9-11,13,15,18,21,23H,7-8H2,1H3
InChIKeyVYKNIABUVMKEHW-UHFFFAOYSA-N
XLogP1.76
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide 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

1-methyl-N-quinolin-8-ylimidazole-4-sulfonamide
CID 155553290
4-[2-(Butylamino)-5-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 89495720
US9656955, Example 228
CID 90404663
US9656955, Example 229
CID 90406037
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806366
1-methyl-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazole-4-sulfonamide
CID 91629856
N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]quinolin-3-yl]benzenesulfonamide
CID 23504723
1-[2-[3-[Methyl-(1-methylimidazol-4-yl)sulfonylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 69701120
4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-quinolin-3-ylbenzenesulfonamide
CID 69828153
N-[3-[2-(3-hydroxypropyl)-5-methylanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 89744616
N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
CID 90404658
N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
CID 90404660

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide (CID 91771801) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is VYKNIABUVMKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22-10-17(20-11-22)26(24,25)21-18(13-7-15(23)8-13)14-6-12-4-2-3-5-16(12)19-9-14/h2-6,9-11,13,15,18,21,23H,7-8H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 91771801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).