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

C18H13FN2OS — CID 9007316

IUPAC(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-13-5-7-14(8-6-13)21-17(12-9-10-23-11-12)20-16-4-2-1-3-15(16)18(21)22/h1-11,17,20H/t17-/m1/s1
InChIKeyIDPAZSSUPMOUII-QGZVFWFLSA-N
MW324.38 g/mol
LogP4.66
Rot. Bonds2

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

(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9007316) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID9007316
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-13-5-7-14(8-6-13)21-17(12-9-10-23-11-12)20-16-4-2-1-3-15(16)18(21)22/h1-11,17,20H/t17-/m1/s1
InChIKeyIDPAZSSUPMOUII-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (CID 9007316) is (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc(F)cc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is IDPAZSSUPMOUII-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-13-5-7-14(8-6-13)21-17(12-9-10-23-11-12)20-16-4-2-1-3-15(16)18(21)22/h1-11,17,20H/t17-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-fluorophenyl)-2-thiophen-3-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 (2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).