3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione

C15H17N3O4 — CID 4910902

IUPAC3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1
InChIInChI=1S/C15H17N3O4/c19-13(17-7-9-22-10-8-17)5-6-18-14(20)11-3-1-2-4-12(11)16-15(18)21/h1-4H,5-10H2,(H,16,21)
InChIKeyHNXLFQRIFFJWNO-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.06
Rot. Bonds3

About 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione

3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione (PubChem CID 4910902) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
PubChem CID4910902
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1
InChIInChI=1S/C15H17N3O4/c19-13(17-7-9-22-10-8-17)5-6-18-14(20)11-3-1-2-4-12(11)16-15(18)21/h1-4H,5-10H2,(H,16,21)
InChIKeyHNXLFQRIFFJWNO-UHFFFAOYSA-N
XLogP-0.06
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-yl)-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 4905579
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3621360
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 51210911
3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 3241880
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4170830
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
CID 42955495
4-hydroxy-3-(2-morpholin-4-yl-2-oxoethyl)-1H-quinolin-2-one
CID 54697772
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 3541728
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 27671803
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione (CID 4910902) is 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione?
The InChIKey is HNXLFQRIFFJWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-13(17-7-9-22-10-8-17)5-6-18-14(20)11-3-1-2-4-12(11)16-15(18)21/h1-4H,5-10H2,(H,16,21).
What are the key properties of 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione?
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4910902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).