[5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol

C16H14N4O3S — CID 59345068

About [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol

[5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol (PubChem CID 59345068) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol
• PubChem CID: 59345068
• Molecular Formula: C16H14N4O3S
• Molecular Weight: 342.38 g/mol
• Exact Mass: 342.08
• IUPAC Name: [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol
• SMILES: O=S1(=O)CCc2c1ccc1ncnc(Nc3cncc(CO)c3)c21
• InChI: InChI=1S/C16H14N4O3S/c21-8-10-5-11(7-17-6-10)20-16-15-12-3-4-24(22,23)14(12)2-1-13(15)18-9-19-16/h1-2,5-7,9,21H,3-4,8H2,(H,18,19,20)
• InChIKey: BYMZTFZOVIWEHY-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.38
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol?

The IUPAC name of [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol (CID 59345068) is [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol.

What is the SMILES notation for [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol?

The canonical SMILES for [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol is O=S1(=O)CCc2c1ccc1ncnc(Nc3cncc(CO)c3)c21.

What is the InChIKey of [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol?

The InChIKey is BYMZTFZOVIWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-8-10-5-11(7-17-6-10)20-16-15-12-3-4-24(22,23)14(12)2-1-13(15)18-9-19-16/h1-2,5-7,9,21H,3-4,8H2,(H,18,19,20).

What are the key properties of [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol?

[5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol has a molecular weight of 342.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 59345068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).