3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione

C11H10N2O3 — CID 117261706

IUPAC3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CC1
InChIInChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)12-11(16)13(10(8)15)6-1-2-6/h3-6,14H,1-2H2,(H,12,16)
InChIKeyLEEKREDEXPQLBT-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.73
Rot. Bonds1

About 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione

3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 117261706) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
PubChem CID117261706
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1C1CC1
InChIInChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)12-11(16)13(10(8)15)6-1-2-6/h3-6,14H,1-2H2,(H,12,16)
InChIKeyLEEKREDEXPQLBT-UHFFFAOYSA-N
XLogP0.73
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
3-tert-butyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261629
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione (CID 117261706) is 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(O)ccc2c(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is LEEKREDEXPQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)12-11(16)13(10(8)15)6-1-2-6/h3-6,14H,1-2H2,(H,12,16).
What are the key properties of 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione?
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).