4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid

C14H17N3O3S — CID 170592673

IUPAC4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
SMILESCC(C)C1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21
InChIInChI=1S/C14H17N3O3S/c1-8(2)12-7-15-14-16(3)13(18)10-6-9(21(19)20)4-5-11(10)17(12)14/h4-6,8,12H,7H2,1-3H3,(H,19,20)
InChIKeyCWGCOAIDHDKJBT-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid

4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid (PubChem CID 170592673) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
PubChem CID170592673
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid
SMILESCC(C)C1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21
InChIInChI=1S/C14H17N3O3S/c1-8(2)12-7-15-14-16(3)13(18)10-6-9(21(19)20)4-5-11(10)17(12)14/h4-6,8,12H,7H2,1-3H3,(H,19,20)
InChIKeyCWGCOAIDHDKJBT-UHFFFAOYSA-N
XLogP1.55
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.55
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 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The IUPAC name of 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid (CID 170592673) is 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid.
What is the SMILES notation for 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The canonical SMILES for 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid is CC(C)C1CN=C2N(C)C(=O)c3cc(S(=O)O)ccc3N21.
What is the InChIKey of 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
The InChIKey is CWGCOAIDHDKJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(2)12-7-15-14-16(3)13(18)10-6-9(21(19)20)4-5-11(10)17(12)14/h4-6,8,12H,7H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid?
4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid has a molecular weight of 307.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfinic acid is sourced from PubChem (CID 170592673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).