5-fluoro-3-propyl-1H-quinazoline-2,4-dione

C11H11FN2O2 — CID 117261040

IUPAC5-fluoro-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C11H11FN2O2/c1-2-6-14-10(15)9-7(12)4-3-5-8(9)13-11(14)16/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyONXRTJYUGUKKKB-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.24
Rot. Bonds2

About 5-fluoro-3-propyl-1H-quinazoline-2,4-dione

5-fluoro-3-propyl-1H-quinazoline-2,4-dione (PubChem CID 117261040) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-3-propyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-propyl-1H-quinazoline-2,4-dione
PubChem CID117261040
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name5-fluoro-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C11H11FN2O2/c1-2-6-14-10(15)9-7(12)4-3-5-8(9)13-11(14)16/h3-5H,2,6H2,1H3,(H,13,16)
InChIKeyONXRTJYUGUKKKB-UHFFFAOYSA-N
XLogP1.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-5-fluoro-1H-quinazoline-2,4-dione
CID 117261046
5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
5-nitro-3-propyl-1H-quinazoline-2,4-dione
CID 125491506
3-butyl-2,4-dioxo-1H-quinazoline-5-sulfonic acid
CID 22642117
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261137
N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide
CID 145330971
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
5-fluoro-3-pyridin-2-yl-1H-quinazoline-2,4-dione
CID 117261022
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-3-propyl-1H-quinazoline-2,4-dione (CID 117261040) is 5-fluoro-3-propyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-3-propyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-3-propyl-1H-quinazoline-2,4-dione is CCCn1c(=O)[nH]c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-3-propyl-1H-quinazoline-2,4-dione?
The InChIKey is ONXRTJYUGUKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-6-14-10(15)9-7(12)4-3-5-8(9)13-11(14)16/h3-5H,2,6H2,1H3,(H,13,16).
What are the key properties of 5-fluoro-3-propyl-1H-quinazoline-2,4-dione?
5-fluoro-3-propyl-1H-quinazoline-2,4-dione has a molecular weight of 222.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).