2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one

C15H11FN2O2 — CID 168550809

IUPAC2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(F)cc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H11FN2O2/c1-20-11-7-9(6-10(16)8-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyYRXVEIFZLWMZIO-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one

2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168550809) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168550809
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(F)cc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H11FN2O2/c1-20-11-7-9(6-10(16)8-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyYRXVEIFZLWMZIO-UHFFFAOYSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(3-fluoro-4-methoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 168552902
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one (CID 168550809) is 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one is COc1cc(F)cc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is YRXVEIFZLWMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-11-7-9(6-10(16)8-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one?
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 270.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).