5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione

C11H11FN2O3 — CID 117262049

IUPAC5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(CCO)c(=O)c2c(F)cccc21
InChIInChI=1S/C11H11FN2O3/c1-13-8-4-2-3-7(12)9(8)10(16)14(5-6-15)11(13)17/h2-4,15H,5-6H2,1H3
InChIKeyCQHSVKAVPVYZRL-UHFFFAOYSA-N
MW238.22 g/mol
LogP-0.17
Rot. Bonds2

About 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione

5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione (PubChem CID 117262049) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
PubChem CID117262049
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(CCO)c(=O)c2c(F)cccc21
InChIInChI=1S/C11H11FN2O3/c1-13-8-4-2-3-7(12)9(8)10(16)14(5-6-15)11(13)17/h2-4,15H,5-6H2,1H3
InChIKeyCQHSVKAVPVYZRL-UHFFFAOYSA-N
XLogP-0.17
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
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CID 110396250
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CID 110396297
3-bromo-4-fluoro-1,2-dimethylindole
CID 84703117
6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
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CID 84698511

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione (CID 117262049) is 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione is Cn1c(=O)n(CCO)c(=O)c2c(F)cccc21.
What is the InChIKey of 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione?
The InChIKey is CQHSVKAVPVYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-13-8-4-2-3-7(12)9(8)10(16)14(5-6-15)11(13)17/h2-4,15H,5-6H2,1H3.
What are the key properties of 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione?
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione has a molecular weight of 238.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).