1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C17H21N3O3 — CID 17437474

IUPAC1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(19-10-6-2-1-3-7-11-19)12-20-14-9-5-4-8-13(14)16(22)18-17(20)23/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,22,23)
InChIKeyIWIIMCAOMIIINC-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.48
Rot. Bonds2

About 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione

1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 17437474) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID17437474
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(19-10-6-2-1-3-7-11-19)12-20-14-9-5-4-8-13(14)16(22)18-17(20)23/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,22,23)
InChIKeyIWIIMCAOMIIINC-UHFFFAOYSA-N
XLogP1.48
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
CID 146092841
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154738311
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 167987362
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 17437474) is 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCCCC1.
What is the InChIKey of 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is IWIIMCAOMIIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(19-10-6-2-1-3-7-11-19)12-20-14-9-5-4-8-13(14)16(22)18-17(20)23/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,22,23).
What are the key properties of 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 17437474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).