N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide

C23H26N4O6S — CID 50830049

IUPACN-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C
InChIInChI=1S/C23H26N4O6S/c1-15-6-9-20(33-3)18(12-15)24-34(31,32)16-7-8-19-17(13-16)22(29)27(23(30)25(19)2)14-21(28)26-10-4-5-11-26/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3
InChIKeyYNTRKUWURCCCKM-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.44
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide

N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide (PubChem CID 50830049) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
PubChem CID50830049
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C
InChIInChI=1S/C23H26N4O6S/c1-15-6-9-20(33-3)18(12-15)24-34(31,32)16-7-8-19-17(13-16)22(29)27(23(30)25(19)2)14-21(28)26-10-4-5-11-26/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3
InChIKeyYNTRKUWURCCCKM-UHFFFAOYSA-N
XLogP1.44
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974152
3-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butyl-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974128
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830024
1-methyl-N-[(3-methylphenyl)methyl]-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830073
3-[2-(azepan-1-yl)-2-oxoethyl]-N-butan-2-yl-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974127
N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830078
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974137
N-(4-methoxyphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831969
N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831755
N-(2-ethylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831734
N-(4-fluoro-2-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831872
1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-6-sulfonamide
CID 20974117

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide (CID 50830049) is N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide?
The InChIKey is YNTRKUWURCCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15-6-9-20(33-3)18(12-15)24-34(31,32)16-7-8-19-17(13-16)22(29)27(23(30)25(19)2)14-21(28)26-10-4-5-11-26/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide?
N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide has a molecular weight of 486.55 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 50830049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).