7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one

C19H19FN4O2S — CID 39005436

IUPAC7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-14-3-4-16-17(10-14)21-13-24(19(16)26)12-18(25)23-7-5-22(6-8-23)11-15-2-1-9-27-15/h1-4,9-10,13H,5-8,11-12H2
InChIKeyAVGHGKJPXNVSPY-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.94
Rot. Bonds4

About 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one

7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 39005436) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID39005436
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-14-3-4-16-17(10-14)21-13-24(19(16)26)12-18(25)23-7-5-22(6-8-23)11-15-2-1-9-27-15/h1-4,9-10,13H,5-8,11-12H2
InChIKeyAVGHGKJPXNVSPY-UHFFFAOYSA-N
XLogP1.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one with MolForge

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Related Compounds

7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 39005053
3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 55602720
3-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 35383754
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 27282781
1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 92799410
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one (CID 39005436) is 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one is O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is AVGHGKJPXNVSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-14-3-4-16-17(10-14)21-13-24(19(16)26)12-18(25)23-7-5-22(6-8-23)11-15-2-1-9-27-15/h1-4,9-10,13H,5-8,11-12H2.
What are the key properties of 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one?
7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 386.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 39005436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).