4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide

C22H26N4O3S — CID 91958453

IUPAC4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCc1c2ccccc2nn1CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2
InChIInChI=1S/C22H26N4O3S/c1-15-17-7-4-5-8-19(17)25-26(15)12-6-11-23-30(28,29)16-9-10-20-18(13-16)22(2,3)14-21(27)24-20/h4-5,7-10,13,23H,6,11-12,14H2,1-3H3,(H,24,27)
InChIKeyZURCHLYLVOSWFX-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.33
Rot. Bonds6

About 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide

4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide (PubChem CID 91958453) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide
PubChem CID91958453
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCc1c2ccccc2nn1CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2
InChIInChI=1S/C22H26N4O3S/c1-15-17-7-4-5-8-19(17)25-26(15)12-6-11-23-30(28,29)16-9-10-20-18(13-16)22(2,3)14-21(27)24-20/h4-5,7-10,13,23H,6,11-12,14H2,1-3H3,(H,24,27)
InChIKeyZURCHLYLVOSWFX-UHFFFAOYSA-N
XLogP3.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958434
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
N-(3-carbazol-9-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154858696
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207619
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
CID 91938558
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91938462

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide (CID 91958453) is 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide is Cc1c2ccccc2nn1CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2.
What is the InChIKey of 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The InChIKey is ZURCHLYLVOSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-17-7-4-5-8-19(17)25-26(15)12-6-11-23-30(28,29)16-9-10-20-18(13-16)22(2,3)14-21(27)24-20/h4-5,7-10,13,23H,6,11-12,14H2,1-3H3,(H,24,27).
What are the key properties of 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide has a molecular weight of 426.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 91958453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).