3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

C23H26N4O5 — CID 35995168

IUPAC3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(OCCN2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C23H26N4O5/c1-31-17-6-8-18(9-7-17)32-15-14-25-10-12-26(13-11-25)21(28)16-27-22(29)19-4-2-3-5-20(19)24-23(27)30/h2-9H,10-16H2,1H3,(H,24,30)
InChIKeyYMDAGJMFLVWKFU-UHFFFAOYSA-N
MW438.48 g/mol
LogP0.92
Rot. Bonds7

About 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (PubChem CID 35995168) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
PubChem CID35995168
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(OCCN2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C23H26N4O5/c1-31-17-6-8-18(9-7-17)32-15-14-25-10-12-26(13-11-25)21(28)16-27-22(29)19-4-2-3-5-20(19)24-23(27)30/h2-9H,10-16H2,1H3,(H,24,30)
InChIKeyYMDAGJMFLVWKFU-UHFFFAOYSA-N
XLogP0.92
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 56802473
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 26514387
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 120809231
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 3240438

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (CID 35995168) is 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is COc1ccc(OCCN2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The InChIKey is YMDAGJMFLVWKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-31-17-6-8-18(9-7-17)32-15-14-25-10-12-26(13-11-25)21(28)16-27-22(29)19-4-2-3-5-20(19)24-23(27)30/h2-9H,10-16H2,1H3,(H,24,30).
What are the key properties of 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione has a molecular weight of 438.48 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 35995168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).