(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid

C13H15N3O3S — CID 170592591

IUPAC(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
SMILESCC[C@@H]1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21
InChIInChI=1S/C13H15N3O3S/c1-3-8-7-14-13-15(2)12(17)10-6-9(20(18)19)4-5-11(10)16(8)13/h4-6,8H,3,7H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyGSZSHPYUEKFQIC-MRVPVSSYSA-N
MW293.35 g/mol
LogP1.31
Rot. Bonds2

About (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid

(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid (PubChem CID 170592591) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid.

Molecular Properties

Compound Name(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
PubChem CID170592591
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
SMILESCC[C@@H]1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21
InChIInChI=1S/C13H15N3O3S/c1-3-8-7-14-13-15(2)12(17)10-6-9(20(18)19)4-5-11(10)16(8)13/h4-6,8H,3,7H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyGSZSHPYUEKFQIC-MRVPVSSYSA-N
XLogP1.31
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The IUPAC name of (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid (CID 170592591) is (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid.
What is the SMILES notation for (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The canonical SMILES for (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid is CC[C@@H]1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21.
What is the InChIKey of (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The InChIKey is GSZSHPYUEKFQIC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-8-7-14-13-15(2)12(17)10-6-9(20(18)19)4-5-11(10)16(8)13/h4-6,8H,3,7H2,1-2H3,(H,18,19)/t8-/m1/s1.
What are the key properties of (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
(1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid has a molecular weight of 293.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid is sourced from PubChem (CID 170592591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).