1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one

C19H20N4OS — CID 70743753

IUPAC1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H20N4OS/c24-18(6-5-15-7-12-25-13-15)22-8-10-23(11-9-22)19-16-3-1-2-4-17(16)20-14-21-19/h1-4,7,12-14H,5-6,8-11H2
InChIKeyVUDMVWRPPCWFTG-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one

1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 70743753) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID70743753
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H20N4OS/c24-18(6-5-15-7-12-25-13-15)22-8-10-23(11-9-22)19-16-3-1-2-4-17(16)20-14-21-19/h1-4,7,12-14H,5-6,8-11H2
InChIKeyVUDMVWRPPCWFTG-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one (CID 70743753) is 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is VUDMVWRPPCWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(6-5-15-7-12-25-13-15)22-8-10-23(11-9-22)19-16-3-1-2-4-17(16)20-14-21-19/h1-4,7,12-14H,5-6,8-11H2.
What are the key properties of 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one?
1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 352.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinazolin-4-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 70743753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).