6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one

C14H9ClN2O2S — CID 852112

IUPAC6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccs1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-4-11-10(6-9)14(19)17(8-16-11)7-12(18)13-2-1-5-20-13/h1-6,8H,7H2
InChIKeyJBVZRINPPGGIJY-UHFFFAOYSA-N
MW304.76 g/mol
LogP2.99
Rot. Bonds3

About 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one

6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one (PubChem CID 852112) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one
PubChem CID852112
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccs1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-4-11-10(6-9)14(19)17(8-16-11)7-12(18)13-2-1-5-20-13/h1-6,8H,7H2
InChIKeyJBVZRINPPGGIJY-UHFFFAOYSA-N
XLogP2.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one?
The IUPAC name of 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one (CID 852112) is 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one is O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccs1.
What is the InChIKey of 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one?
The InChIKey is JBVZRINPPGGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-9-3-4-11-10(6-9)14(19)17(8-16-11)7-12(18)13-2-1-5-20-13/h1-6,8H,7H2.
What are the key properties of 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one?
6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one has a molecular weight of 304.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one is sourced from PubChem (CID 852112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).