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

C17H22N4O4 — CID 56802473

IUPAC3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESCC(O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C17H22N4O4/c1-12(22)10-19-6-8-20(9-7-19)15(23)11-21-16(24)13-4-2-3-5-14(13)18-17(21)25/h2-5,12,22H,6-11H2,1H3,(H,18,25)
InChIKeyQZANXEOCVUCLIH-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.79
Rot. Bonds4

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

3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (PubChem CID 56802473) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
PubChem CID56802473
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESCC(O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C17H22N4O4/c1-12(22)10-19-6-8-20(9-7-19)15(23)11-21-16(24)13-4-2-3-5-14(13)18-17(21)25/h2-5,12,22H,6-11H2,1H3,(H,18,25)
InChIKeyQZANXEOCVUCLIH-UHFFFAOYSA-N
XLogP-0.79
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 35995168
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 120809231
(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607083
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 154740262
3-[4-(azepan-1-yl)-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 4905579
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 138996391
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 120749625

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (CID 56802473) is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is CC(O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The InChIKey is QZANXEOCVUCLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12(22)10-19-6-8-20(9-7-19)15(23)11-21-16(24)13-4-2-3-5-14(13)18-17(21)25/h2-5,12,22H,6-11H2,1H3,(H,18,25).
What are the key properties of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 56802473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).