4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione

C10H12N2O2 — CID 83861390

IUPAC4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H12N2O2/c1-2-6-9-7(12-10(14)11-6)4-3-5-8(9)13/h2-5H2,1H3,(H,11,12,14)
InChIKeyAHWDCTQHJUPXMA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds1

About 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione

4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83861390) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83861390
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H12N2O2/c1-2-6-9-7(12-10(14)11-6)4-3-5-8(9)13/h2-5H2,1H3,(H,11,12,14)
InChIKeyAHWDCTQHJUPXMA-UHFFFAOYSA-N
XLogP0.85
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83861390) is 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione is CCc1nc(=O)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is AHWDCTQHJUPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-6-9-7(12-10(14)11-6)4-3-5-8(9)13/h2-5H2,1H3,(H,11,12,14).
What are the key properties of 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 192.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83861390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).