3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione

C11H11FN2O3 — CID 168900246

IUPAC3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(F)c(CO)ccc2c1=O
InChIInChI=1S/C11H11FN2O3/c1-2-14-10(16)7-4-3-6(5-15)8(12)9(7)13-11(14)17/h3-4,15H,2,5H2,1H3,(H,13,17)
InChIKeyQSBCIGCLGWCYAO-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.34
Rot. Bonds2

About 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione

3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione (PubChem CID 168900246) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
PubChem CID168900246
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(F)c(CO)ccc2c1=O
InChIInChI=1S/C11H11FN2O3/c1-2-14-10(16)7-4-3-6(5-15)8(12)9(7)13-11(14)17/h3-4,15H,2,5H2,1H3,(H,13,17)
InChIKeyQSBCIGCLGWCYAO-UHFFFAOYSA-N
XLogP0.34
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-8-fluoro-2,4-dioxo-1H-quinazoline-7-carbaldehyde
CID 168957479
5-[4-[(3-ethyl-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900134
3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
CID 114589090
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
6-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-ethyl-1H-quinazoline-2,4-dione
CID 21398898
1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
CID 82524548
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
5-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 11230382

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione (CID 168900246) is 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2c(F)c(CO)ccc2c1=O.
What is the InChIKey of 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The InChIKey is QSBCIGCLGWCYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-14-10(16)7-4-3-6(5-15)8(12)9(7)13-11(14)17/h3-4,15H,2,5H2,1H3,(H,13,17).
What are the key properties of 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione has a molecular weight of 238.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 168900246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).