2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid

C12H13N3O6S — CID 46786417

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
SMILESCn1c(=O)c2cc(S(=O)(=O)NCC(=O)O)ccc2n(C)c1=O
InChIInChI=1S/C12H13N3O6S/c1-14-9-4-3-7(22(20,21)13-6-10(16)17)5-8(9)11(18)15(2)12(14)19/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyXGHMMYTYCYEDEM-UHFFFAOYSA-N
MW327.32 g/mol
LogP-1.40
Rot. Bonds4

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid (PubChem CID 46786417) has the molecular formula C12H13N3O6S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
PubChem CID46786417
Molecular FormulaC12H13N3O6S
Molecular Weight327.32 g/mol
Exact Mass327.05
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
SMILESCn1c(=O)c2cc(S(=O)(=O)NCC(=O)O)ccc2n(C)c1=O
InChIInChI=1S/C12H13N3O6S/c1-14-9-4-3-7(22(20,21)13-6-10(16)17)5-8(9)11(18)15(2)12(14)19/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyXGHMMYTYCYEDEM-UHFFFAOYSA-N
XLogP-1.40
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
CID 46257551
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 166341434
N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide
CID 53298133
1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
CID 51500253
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 46257550
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
CID 51066200
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
CID 20865863
(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 92665671

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid (CID 46786417) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid is Cn1c(=O)c2cc(S(=O)(=O)NCC(=O)O)ccc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid?
The InChIKey is XGHMMYTYCYEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O6S/c1-14-9-4-3-7(22(20,21)13-6-10(16)17)5-8(9)11(18)15(2)12(14)19/h3-5,13H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid has a molecular weight of 327.32 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 46786417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).