3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one

C17H14BrFN2O3 — CID 41176342

IUPAC3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3/c18-11-1-4-14(5-2-11)24-9-13(22)8-21-10-20-16-7-12(19)3-6-15(16)17(21)23/h1-7,10,13,22H,8-9H2/t13-/m1/s1
InChIKeyDUDJIFNCODZSPD-CYBMUJFWSA-N
MW393.21 g/mol
LogP2.74
Rot. Bonds5

About 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one

3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one (PubChem CID 41176342) has the molecular formula C17H14BrFN2O3 and a molecular weight of 393.21 g/mol. Its IUPAC name is 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
PubChem CID41176342
Molecular FormulaC17H14BrFN2O3
Molecular Weight393.21 g/mol
Exact Mass392.02
IUPAC Name3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3/c18-11-1-4-14(5-2-11)24-9-13(22)8-21-10-20-16-7-12(19)3-6-15(16)17(21)23/h1-7,10,13,22H,8-9H2/t13-/m1/s1
InChIKeyDUDJIFNCODZSPD-CYBMUJFWSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 17403996
7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
CID 52541560
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
CID 17463770
6-bromo-3-[2-hydroxy-3-(4-phenylphenoxy)propyl]quinazolin-4-one
CID 24562567
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
4-[3-(7-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile
CID 17464254
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
CID 31076436
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24562552

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one (CID 41176342) is 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The InChIKey is DUDJIFNCODZSPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14BrFN2O3/c18-11-1-4-14(5-2-11)24-9-13(22)8-21-10-20-16-7-12(19)3-6-15(16)17(21)23/h1-7,10,13,22H,8-9H2/t13-/m1/s1.
What are the key properties of 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one has a molecular weight of 393.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 41176342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).