3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one

C19H19FN2O3 — CID 47053300

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(CC(O)COCc3ccccc3F)c(=O)c2c1
InChIInChI=1S/C19H19FN2O3/c1-13-6-7-18-16(8-13)19(24)22(12-21-18)9-15(23)11-25-10-14-4-2-3-5-17(14)20/h2-8,12,15,23H,9-11H2,1H3
InChIKeyXGQZQDSEJBJARJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.42
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one (PubChem CID 47053300) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one
PubChem CID47053300
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(CC(O)COCc3ccccc3F)c(=O)c2c1
InChIInChI=1S/C19H19FN2O3/c1-13-6-7-18-16(8-13)19(24)22(12-21-18)9-15(23)11-25-10-14-4-2-3-5-17(14)20/h2-8,12,15,23H,9-11H2,1H3
InChIKeyXGQZQDSEJBJARJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-nitroquinazolin-4-one
CID 41176512
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060
6-(4-bromophenyl)-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
CID 25468608
3-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-6-methylquinazolin-4-one
CID 52502459
3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6-methylquinazolin-4-one
CID 51119555
11-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 18125662
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
3-ethyl-6-methylquinazolin-4-one
CID 70641598
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
CID 17463770
1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 109415518

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one (CID 47053300) is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one is Cc1ccc2ncn(CC(O)COCc3ccccc3F)c(=O)c2c1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one?
The InChIKey is XGQZQDSEJBJARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-6-7-18-16(8-13)19(24)22(12-21-18)9-15(23)11-25-10-14-4-2-3-5-17(14)20/h2-8,12,15,23H,9-11H2,1H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one?
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one has a molecular weight of 342.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 47053300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).