6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one

C13H14BrFN2O3 — CID 99839919

IUPAC6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one
SMILESCCOC[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O
InChIInChI=1S/C13H14BrFN2O3/c1-2-20-6-9(18)5-17-7-16-12-10(13(17)19)3-8(14)4-11(12)15/h3-4,7,9,18H,2,5-6H2,1H3/t9-/m1/s1
InChIKeyJZAOLFIRZWZCIQ-SECBINFHSA-N
MW345.17 g/mol
LogP1.70
Rot. Bonds5

About 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one

6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one (PubChem CID 99839919) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one
PubChem CID99839919
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one
SMILESCCOC[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O
InChIInChI=1S/C13H14BrFN2O3/c1-2-20-6-9(18)5-17-7-16-12-10(13(17)19)3-8(14)4-11(12)15/h3-4,7,9,18H,2,5-6H2,1H3/t9-/m1/s1
InChIKeyJZAOLFIRZWZCIQ-SECBINFHSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-fluoro-3-[3-(2-methoxyethylsulfanyl)propyl]quinazolin-4-one
CID 154798356
ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
CID 9136125
3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 45240631
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 99839478
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one
CID 47053300
6,8-dichloro-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 42942844
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
CID 17463770
(2S)-1-ethoxy-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol
CID 99839843
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one (CID 99839919) is 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one is CCOC[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one?
The InChIKey is JZAOLFIRZWZCIQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c1-2-20-6-9(18)5-17-7-16-12-10(13(17)19)3-8(14)4-11(12)15/h3-4,7,9,18H,2,5-6H2,1H3/t9-/m1/s1.
What are the key properties of 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one?
6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one has a molecular weight of 345.17 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one is sourced from PubChem (CID 99839919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).