(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol

C13H15N3O3S — CID 59344992

IUPAC(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C13H15N3O3S/c1-8(17)6-14-13-12-9-4-5-20(18,19)11(9)3-2-10(12)15-7-16-13/h2-3,7-8,17H,4-6H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyJIHDUUVHFVSDOO-MRVPVSSYSA-N
MW293.35 g/mol
LogP0.75
Rot. Bonds3

About (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol

(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol (PubChem CID 59344992) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol
PubChem CID59344992
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C13H15N3O3S/c1-8(17)6-14-13-12-9-4-5-20(18,19)11(9)3-2-10(12)15-7-16-13/h2-3,7-8,17H,4-6H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyJIHDUUVHFVSDOO-MRVPVSSYSA-N
XLogP0.75
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol (CID 59344992) is (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol is C[C@@H](O)CNc1ncnc2ccc3c(c12)CCS3(=O)=O.
What is the InChIKey of (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol?
The InChIKey is JIHDUUVHFVSDOO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(17)6-14-13-12-9-4-5-20(18,19)11(9)3-2-10(12)15-7-16-13/h2-3,7-8,17H,4-6H2,1H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol?
(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol has a molecular weight of 293.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol is sourced from PubChem (CID 59344992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).