4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline

C18H12ClFN2S — CID 141268235

IUPAC4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline
SMILESFc1ccc(-c2nc(-c3cccs3)nc3c2C=CCC3)c(Cl)c1
InChIInChI=1S/C18H12ClFN2S/c19-14-10-11(20)7-8-12(14)17-13-4-1-2-5-15(13)21-18(22-17)16-6-3-9-23-16/h1,3-4,6-10H,2,5H2
InChIKeyVCSDNBCSOOJFCC-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.62
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline

4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline (PubChem CID 141268235) has the molecular formula C18H12ClFN2S and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline
PubChem CID141268235
Molecular FormulaC18H12ClFN2S
Molecular Weight342.83 g/mol
Exact Mass342.04
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline
SMILESFc1ccc(-c2nc(-c3cccs3)nc3c2C=CCC3)c(Cl)c1
InChIInChI=1S/C18H12ClFN2S/c19-14-10-11(20)7-8-12(14)17-13-4-1-2-5-15(13)21-18(22-17)16-6-3-9-23-16/h1,3-4,6-10H,2,5H2
InChIKeyVCSDNBCSOOJFCC-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline (CID 141268235) is 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline is Fc1ccc(-c2nc(-c3cccs3)nc3c2C=CCC3)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline?
The InChIKey is VCSDNBCSOOJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2S/c19-14-10-11(20)7-8-12(14)17-13-4-1-2-5-15(13)21-18(22-17)16-6-3-9-23-16/h1,3-4,6-10H,2,5H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline?
4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline has a molecular weight of 342.83 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-thiophen-2-yl-7,8-dihydroquinazoline is sourced from PubChem (CID 141268235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).