1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone

C20H20N2O2S — CID 1442664

IUPAC1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
SMILESCCCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2S/c1-3-6-19-21-17-8-5-4-7-16(17)20(22-19)25-13-18(23)14-9-11-15(24-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyDKRJGNGBURBVNO-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.57
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone

1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone (PubChem CID 1442664) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
PubChem CID1442664
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
SMILESCCCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2S/c1-3-6-19-21-17-8-5-4-7-16(17)20(22-19)25-13-18(23)14-9-11-15(24-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyDKRJGNGBURBVNO-UHFFFAOYSA-N
XLogP4.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone (CID 1442664) is 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone is CCCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone?
The InChIKey is DKRJGNGBURBVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-6-19-21-17-8-5-4-7-16(17)20(22-19)25-13-18(23)14-9-11-15(24-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone has a molecular weight of 352.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 1442664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).