2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C15H20N4O2S — CID 59345040

IUPAC2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C15H20N4O2S/c1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15/h4-5,9-10H,6-8H2,1-3H3,(H,16,17,18)
InChIKeyPROUOYXQZUPMET-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.32
Rot. Bonds4

About 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 59345040) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID59345040
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O
InChIInChI=1S/C15H20N4O2S/c1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15/h4-5,9-10H,6-8H2,1-3H3,(H,16,17,18)
InChIKeyPROUOYXQZUPMET-UHFFFAOYSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 59345040) is 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.
What is the InChIKey of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is PROUOYXQZUPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15/h4-5,9-10H,6-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 320.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 59345040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).