3-cyclooctyl-1H-quinazoline-2,4-dione

C16H20N2O2 — CID 47148765

IUPAC3-cyclooctyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C1CCCCCCC1
InChIInChI=1S/C16H20N2O2/c19-15-13-10-6-7-11-14(13)17-16(20)18(15)12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,17,20)
InChIKeyRSEWVQVMVLKUEF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.98
Rot. Bonds1

About 3-cyclooctyl-1H-quinazoline-2,4-dione

3-cyclooctyl-1H-quinazoline-2,4-dione (PubChem CID 47148765) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclooctyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclooctyl-1H-quinazoline-2,4-dione
PubChem CID47148765
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclooctyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C1CCCCCCC1
InChIInChI=1S/C16H20N2O2/c19-15-13-10-6-7-11-14(13)17-16(20)18(15)12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,17,20)
InChIKeyRSEWVQVMVLKUEF-UHFFFAOYSA-N
XLogP2.98
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclooctyl-1H-quinazoline-2,4-dione (CID 47148765) is 3-cyclooctyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclooctyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclooctyl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1C1CCCCCCC1.
What is the InChIKey of 3-cyclooctyl-1H-quinazoline-2,4-dione?
The InChIKey is RSEWVQVMVLKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-13-10-6-7-11-14(13)17-16(20)18(15)12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,17,20).
What are the key properties of 3-cyclooctyl-1H-quinazoline-2,4-dione?
3-cyclooctyl-1H-quinazoline-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 47148765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).