N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide

C22H24N4O3S — CID 126935356

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)c3cccc4cccnc34)CC1)CCC2
InChIInChI=1S/C22H24N4O3S/c27-21-14-16-5-1-7-19(16)24-26(21)18-11-9-17(10-12-18)25-30(28,29)20-8-2-4-15-6-3-13-23-22(15)20/h2-4,6,8,13-14,17-18,25H,1,5,7,9-12H2
InChIKeyGXHLYAMHHPKAAS-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide (PubChem CID 126935356) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
PubChem CID126935356
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)c3cccc4cccnc34)CC1)CCC2
InChIInChI=1S/C22H24N4O3S/c27-21-14-16-5-1-7-19(16)24-26(21)18-11-9-17(10-12-18)25-30(28,29)20-8-2-4-15-6-3-13-23-22(15)20/h2-4,6,8,13-14,17-18,25H,1,5,7,9-12H2
InChIKeyGXHLYAMHHPKAAS-UHFFFAOYSA-N
XLogP2.74
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide (CID 126935356) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide is O=c1cc2c(nn1C1CCC(NS(=O)(=O)c3cccc4cccnc34)CC1)CCC2.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The InChIKey is GXHLYAMHHPKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-21-14-16-5-1-7-19(16)24-26(21)18-11-9-17(10-12-18)25-30(28,29)20-8-2-4-15-6-3-13-23-22(15)20/h2-4,6,8,13-14,17-18,25H,1,5,7,9-12H2.
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide is sourced from PubChem (CID 126935356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).