3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione

C14H16N2O3 — CID 117261439

IUPAC3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(O)cc2c(=O)n1C1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-10-6-7-12-11(8-10)13(18)16(14(19)15-12)9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H,15,19)
InChIKeyOVMHBAPCFBTVJB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.90
Rot. Bonds1

About 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione

3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 117261439) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
PubChem CID117261439
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(O)cc2c(=O)n1C1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-10-6-7-12-11(8-10)13(18)16(14(19)15-12)9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H,15,19)
InChIKeyOVMHBAPCFBTVJB-UHFFFAOYSA-N
XLogP1.90
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
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-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
6-amino-3-cyclobutyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588926

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione (CID 117261439) is 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(O)cc2c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is OVMHBAPCFBTVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-10-6-7-12-11(8-10)13(18)16(14(19)15-12)9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H,15,19).
What are the key properties of 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione?
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).