3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione

C11H11FN2O3 — CID 114589090

IUPAC3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(OC)cc(F)cc2c1=O
InChIInChI=1S/C11H11FN2O3/c1-3-14-10(15)7-4-6(12)5-8(17-2)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyHZBNTCJGISFBCQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.86
Rot. Bonds2

About 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione

3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione (PubChem CID 114589090) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
PubChem CID114589090
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(OC)cc(F)cc2c1=O
InChIInChI=1S/C11H11FN2O3/c1-3-14-10(15)7-4-6(12)5-8(17-2)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyHZBNTCJGISFBCQ-UHFFFAOYSA-N
XLogP0.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-8-fluoro-2,4-dioxo-1H-quinazoline-7-carbaldehyde
CID 168957479
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile
CID 170773711
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
3-ethyl-8-fluoro-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
CID 168900246
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263372
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione (CID 114589090) is 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2c(OC)cc(F)cc2c1=O.
What is the InChIKey of 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is HZBNTCJGISFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-3-14-10(15)7-4-6(12)5-8(17-2)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16).
What are the key properties of 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 238.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 114589090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).