3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one

C19H19FN2O3 — CID 17403996

IUPAC3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
SMILESCc1cccc(C)c1OCC(O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C19H19FN2O3/c1-12-4-3-5-13(2)18(12)25-10-15(23)9-22-11-21-17-8-14(20)6-7-16(17)19(22)24/h3-8,11,15,23H,9-10H2,1-2H3
InChIKeyMAYXAEGDTDWHGP-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.59
Rot. Bonds5

About 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one

3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one (PubChem CID 17403996) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
PubChem CID17403996
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
SMILESCc1cccc(C)c1OCC(O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C19H19FN2O3/c1-12-4-3-5-13(2)18(12)25-10-15(23)9-22-11-21-17-8-14(20)6-7-16(17)19(22)24/h3-8,11,15,23H,9-10H2,1-2H3
InChIKeyMAYXAEGDTDWHGP-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.59
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
7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
CID 52541560
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
7-chloro-3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6-nitroquinazolin-4-one
CID 42942590
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one (CID 17403996) is 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one is Cc1cccc(C)c1OCC(O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
The InChIKey is MAYXAEGDTDWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-4-3-5-13(2)18(12)25-10-15(23)9-22-11-21-17-8-14(20)6-7-16(17)19(22)24/h3-8,11,15,23H,9-10H2,1-2H3.
What are the key properties of 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one?
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one has a molecular weight of 342.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 17403996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).