N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C25H30N4O4S — CID 20946705

IUPACN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3
InChIKeyCUHWZFQJNZKBNU-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.91
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 20946705) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID20946705
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3
InChIKeyCUHWZFQJNZKBNU-UHFFFAOYSA-N
XLogP2.91
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296520
N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296532
N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296539
N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296576
N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296577
4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
CID 142296583
N-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296602
N-[1,4-Dimethyl-7-(morpholin-4-YL)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-YL]-4-(2-methylpropyl)benzene-1-sulfonamide
CID 16026457
N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20944522
4-(4-Ethyl-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 851173
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-3,4-dimethylbenzene-1-sulfonamide
CID 7517548
4-[2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 16307218

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 20946705) is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is CUHWZFQJNZKBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3.
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 482.61 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 20946705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).