2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one

C11H10ClFN2O2 — CID 117264526

IUPAC2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1c(Cl)nc2c(F)cccc2c1=O
InChIInChI=1S/C11H10ClFN2O2/c1-6(16)5-15-10(17)7-3-2-4-8(13)9(7)14-11(15)12/h2-4,6,16H,5H2,1H3
InChIKeyKXCWABSGOSMPJB-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one

2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one (PubChem CID 117264526) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
PubChem CID117264526
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1c(Cl)nc2c(F)cccc2c1=O
InChIInChI=1S/C11H10ClFN2O2/c1-6(16)5-15-10(17)7-3-2-4-8(13)9(7)14-11(15)12/h2-4,6,16H,5H2,1H3
InChIKeyKXCWABSGOSMPJB-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one?
The IUPAC name of 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one (CID 117264526) is 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one is CC(O)Cn1c(Cl)nc2c(F)cccc2c1=O.
What is the InChIKey of 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one?
The InChIKey is KXCWABSGOSMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-6(16)5-15-10(17)7-3-2-4-8(13)9(7)14-11(15)12/h2-4,6,16H,5H2,1H3.
What are the key properties of 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one?
2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one has a molecular weight of 256.66 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 117264526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).