8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C14H16FN3O4S — CID 134169714

IUPAC8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)cc(F)c2n(C)c1=O
InChIInChI=1S/C14H16FN3O4S/c1-14(4-5-14)16-23(21,22)8-6-9-11(10(15)7-8)17(2)13(20)18(3)12(9)19/h6-7,16H,4-5H2,1-3H3
InChIKeyAMVSISQYIAAXRN-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.21
Rot. Bonds3

About 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134169714) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID134169714
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)cc(F)c2n(C)c1=O
InChIInChI=1S/C14H16FN3O4S/c1-14(4-5-14)16-23(21,22)8-6-9-11(10(15)7-8)17(2)13(20)18(3)12(9)19/h6-7,16H,4-5H2,1-3H3
InChIKeyAMVSISQYIAAXRN-UHFFFAOYSA-N
XLogP0.21
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 134169714) is 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)cc(F)c2n(C)c1=O.
What is the InChIKey of 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is AMVSISQYIAAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-14(4-5-14)16-23(21,22)8-6-9-11(10(15)7-8)17(2)13(20)18(3)12(9)19/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 341.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134169714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).