N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H28N4O5S — CID 20944522

IUPACN-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3
InChIKeyHKFDPIBCGYGLOO-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.75
Rot. Bonds4

About N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 20944522) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID20944522
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3
InChIKeyHKFDPIBCGYGLOO-UHFFFAOYSA-N
XLogP1.75
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 20944522) is N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HKFDPIBCGYGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3.
What are the key properties of N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 20944522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).