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

C11H12N2O2 — CID 83861394

IUPAC4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)nc(C3CC3)c21
InChIInChI=1S/C11H12N2O2/c14-8-3-1-2-7-9(8)10(6-4-5-6)13-11(15)12-7/h6H,1-5H2,(H,12,13,15)
InChIKeySLUZGWGRTFNCQM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds1

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

4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83861394) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83861394
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)nc(C3CC3)c21
InChIInChI=1S/C11H12N2O2/c14-8-3-1-2-7-9(8)10(6-4-5-6)13-11(15)12-7/h6H,1-5H2,(H,12,13,15)
InChIKeySLUZGWGRTFNCQM-UHFFFAOYSA-N
XLogP1.17
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 83858985
CID 83858985
CID 83861345
CID 83861345
CID 83861346
CID 83861346
CID 83861390
CID 83861390
CID 83861395
CID 83861395
CID 83863486
CID 83863486
CID 83863489
CID 83863489
CID 83863517
CID 83863517
CID 83863519
CID 83863519
CID 83871256
CID 83871256
CID 83871257
CID 83871257

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83861394) is 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione is O=C1CCCc2[nH]c(=O)nc(C3CC3)c21.
What is the InChIKey of 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is SLUZGWGRTFNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-8-3-1-2-7-9(8)10(6-4-5-6)13-11(15)12-7/h6H,1-5H2,(H,12,13,15).
What are the key properties of 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).