1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

C16H25N3O3 — CID 142108166

IUPAC1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCN2CCCCOC2)c2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-15-13-6-1-2-7-14(13)19(16(21)17-15)10-5-9-18-8-3-4-11-22-12-18/h1-12H2,(H,17,20,21)
InChIKeyBOQGRSXLGXDOHD-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.88
Rot. Bonds4

About 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 142108166) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID142108166
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCN2CCCCOC2)c2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-15-13-6-1-2-7-14(13)19(16(21)17-15)10-5-9-18-8-3-4-11-22-12-18/h1-12H2,(H,17,20,21)
InChIKeyBOQGRSXLGXDOHD-UHFFFAOYSA-N
XLogP0.88
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 142108166) is 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=c1[nH]c(=O)n(CCCN2CCCCOC2)c2c1CCCC2.
What is the InChIKey of 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is BOQGRSXLGXDOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-15-13-6-1-2-7-14(13)19(16(21)17-15)10-5-9-18-8-3-4-11-22-12-18/h1-12H2,(H,17,20,21).
What are the key properties of 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-oxazepan-3-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 142108166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).