6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione

C12H11ClN2O2 — CID 117261427

IUPAC6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCC1
InChIInChI=1S/C12H11ClN2O2/c13-7-4-5-10-9(6-7)11(16)15(12(17)14-10)8-2-1-3-8/h4-6,8H,1-3H2,(H,14,17)
InChIKeyQEBRCFONZVWHAE-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.07
Rot. Bonds1

About 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione

6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione (PubChem CID 117261427) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
PubChem CID117261427
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCC1
InChIInChI=1S/C12H11ClN2O2/c13-7-4-5-10-9(6-7)11(16)15(12(17)14-10)8-2-1-3-8/h4-6,8H,1-3H2,(H,14,17)
InChIKeyQEBRCFONZVWHAE-UHFFFAOYSA-N
XLogP2.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
CID 117261282
6-amino-3-cyclobutyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588926

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione (CID 117261427) is 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCC1.
What is the InChIKey of 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione?
The InChIKey is QEBRCFONZVWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-7-4-5-10-9(6-7)11(16)15(12(17)14-10)8-2-1-3-8/h4-6,8H,1-3H2,(H,14,17).
What are the key properties of 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione?
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione has a molecular weight of 250.68 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).