1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

C17H19N5O5S — CID 121398171

IUPAC1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nonc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C17H19N5O5S/c1-10-13(19-27-18-10)9-22-15(23)12-8-11(4-5-14(12)21(3)16(22)24)28(25,26)20-17(2)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3
InChIKeyCFBCGCYRBZXWGE-UHFFFAOYSA-N
MW405.44 g/mol
LogP0.27
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398171) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398171
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nonc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C17H19N5O5S/c1-10-13(19-27-18-10)9-22-15(23)12-8-11(4-5-14(12)21(3)16(22)24)28(25,26)20-17(2)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3
InChIKeyCFBCGCYRBZXWGE-UHFFFAOYSA-N
XLogP0.27
TPSA129.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 121398171) is 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is Cc1nonc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is CFBCGCYRBZXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S/c1-10-13(19-27-18-10)9-22-15(23)12-8-11(4-5-14(12)21(3)16(22)24)28(25,26)20-17(2)6-7-17/h4-5,8,20H,6-7,9H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 405.44 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).