2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one

C10H8ClFN2O2 — CID 117263425

IUPAC2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc(Cl)n1CCO
InChIInChI=1S/C10H8ClFN2O2/c11-10-13-7-3-1-2-6(12)8(7)9(16)14(10)4-5-15/h1-3,15H,4-5H2
InChIKeyXSGWHSFTHPMBRQ-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.18
Rot. Bonds2

About 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one

2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 117263425) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID117263425
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc(Cl)n1CCO
InChIInChI=1S/C10H8ClFN2O2/c11-10-13-7-3-1-2-6(12)8(7)9(16)14(10)4-5-15/h1-3,15H,4-5H2
InChIKeyXSGWHSFTHPMBRQ-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826
2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
CID 117264534
2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol
CID 68773972
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 157216707
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
CID 58125399
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one (CID 117263425) is 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2c(F)cccc2nc(Cl)n1CCO.
What is the InChIKey of 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is XSGWHSFTHPMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-10-13-7-3-1-2-6(12)8(7)9(16)14(10)4-5-15/h1-3,15H,4-5H2.
What are the key properties of 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one?
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 242.64 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 117263425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).