(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

C18H13FN2OS — CID 9007376

IUPAC(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11,17,20H/t17-/m0/s1
InChIKeyQTRGAZVIIJPGOO-KRWDZBQOSA-N
MW324.38 g/mol
LogP4.66
Rot. Bonds2

About (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9007376) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID9007376
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11,17,20H/t17-/m0/s1
InChIKeyQTRGAZVIIJPGOO-KRWDZBQOSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (CID 9007376) is (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc(F)cc1.
What is the InChIKey of (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is QTRGAZVIIJPGOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11,17,20H/t17-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).