N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C15H14N4O2S — CID 91649529

IUPACN-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2ncccc2c1)c1cnc2n1CCC2
InChIInChI=1S/C15H14N4O2S/c20-22(21,15-10-17-14-4-2-8-19(14)15)18-12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10,18H,2,4,8H2
InChIKeyWDMFKCODPRYEQN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.18
Rot. Bonds3

About N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 91649529) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID91649529
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2ncccc2c1)c1cnc2n1CCC2
InChIInChI=1S/C15H14N4O2S/c20-22(21,15-10-17-14-4-2-8-19(14)15)18-12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10,18H,2,4,8H2
InChIKeyWDMFKCODPRYEQN-UHFFFAOYSA-N
XLogP2.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 91649529) is N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is O=S(=O)(Nc1ccc2ncccc2c1)c1cnc2n1CCC2.
What is the InChIKey of N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is WDMFKCODPRYEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-22(21,15-10-17-14-4-2-8-19(14)15)18-12-5-6-13-11(9-12)3-1-7-16-13/h1,3,5-7,9-10,18H,2,4,8H2.
What are the key properties of N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 91649529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).