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

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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).