1-(5-chloropentyl)quinazoline-2,4-dione

C13H15ClN2O2 — CID 22449700

IUPAC1-(5-chloropentyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCCCl)c2ccccc12
InChIInChI=1S/C13H15ClN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(17)15-13(16)18/h2-3,6-7H,1,4-5,8-9H2,(H,15,17,18)
InChIKeyOBXCLXQVDFYQME-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.10
Rot. Bonds5

About 1-(5-chloropentyl)quinazoline-2,4-dione

1-(5-chloropentyl)quinazoline-2,4-dione (PubChem CID 22449700) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(5-chloropentyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)quinazoline-2,4-dione
PubChem CID22449700
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(5-chloropentyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCCCl)c2ccccc12
InChIInChI=1S/C13H15ClN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(17)15-13(16)18/h2-3,6-7H,1,4-5,8-9H2,(H,15,17,18)
InChIKeyOBXCLXQVDFYQME-UHFFFAOYSA-N
XLogP2.10
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)quinazoline-2,4-dione?
The IUPAC name of 1-(5-chloropentyl)quinazoline-2,4-dione (CID 22449700) is 1-(5-chloropentyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(5-chloropentyl)quinazoline-2,4-dione?
The canonical SMILES for 1-(5-chloropentyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(CCCCCCl)c2ccccc12.
What is the InChIKey of 1-(5-chloropentyl)quinazoline-2,4-dione?
The InChIKey is OBXCLXQVDFYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(17)15-13(16)18/h2-3,6-7H,1,4-5,8-9H2,(H,15,17,18).
What are the key properties of 1-(5-chloropentyl)quinazoline-2,4-dione?
1-(5-chloropentyl)quinazoline-2,4-dione has a molecular weight of 266.73 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)quinazoline-2,4-dione is sourced from PubChem (CID 22449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).