N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C16H12FN3O2S — CID 59345034

IUPACN-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESO=S1(=O)CCc2c1ccc1ncnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-23(21,22)14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyYGQWVSDHGVEPOX-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.84
Rot. Bonds2

About N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 59345034) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID59345034
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESO=S1(=O)CCc2c1ccc1ncnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-23(21,22)14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyYGQWVSDHGVEPOX-UHFFFAOYSA-N
XLogP2.84
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 59345034) is N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is O=S1(=O)CCc2c1ccc1ncnc(Nc3ccc(F)cc3)c21.
What is the InChIKey of N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is YGQWVSDHGVEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)20-16-15-12-7-8-23(21,22)14(12)6-5-13(15)18-9-19-16/h1-6,9H,7-8H2,(H,18,19,20).
What are the key properties of N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 329.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 59345034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).