N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

C17H23N3O5S — CID 169032025

IUPACN-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NC3(C)COC3C)ccc2n(CC)c1=O
InChIInChI=1S/C17H23N3O5S/c1-5-19-14-8-7-12(9-13(14)15(21)20(6-2)16(19)22)26(23,24)18-17(4)10-25-11(17)3/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyQBFPKKUFVBYNJZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.66
Rot. Bonds5

About N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 169032025) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID169032025
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NC3(C)COC3C)ccc2n(CC)c1=O
InChIInChI=1S/C17H23N3O5S/c1-5-19-14-8-7-12(9-13(14)15(21)20(6-2)16(19)22)26(23,24)18-17(4)10-25-11(17)3/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyQBFPKKUFVBYNJZ-UHFFFAOYSA-N
XLogP0.66
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanooxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 169032063
N-[3-(difluoromethyl)oxetan-3-yl]-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 169032152
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359
1-benzyl-3-ethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398750
1-(cyclopropylmethyl)-3-[2-(methylamino)ethyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187408
N-(1-methylcyclopropyl)-1,3-bis[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398333
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-1-(2-morpholin-4-ylethyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398400
1-[(3,3-dimethylcyclobutyl)methyl]-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398868
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-(azetidin-3-ylmethyl)-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398425

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 169032025) is N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is CCn1c(=O)c2cc(S(=O)(=O)NC3(C)COC3C)ccc2n(CC)c1=O.
What is the InChIKey of N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is QBFPKKUFVBYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-5-19-14-8-7-12(9-13(14)15(21)20(6-2)16(19)22)26(23,24)18-17(4)10-25-11(17)3/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 381.45 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyloxetan-3-yl)-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 169032025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).