8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one

C19H15FN4O2 — CID 155594072

IUPAC8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCOc1cccc(Cn2cnc3c(F)cc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C19H15FN4O2/c1-26-15-4-2-3-12(5-15)10-24-11-21-18-16(19(24)25)6-13(7-17(18)20)14-8-22-23-9-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyYLOPUBFCINWQFR-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.98
Rot. Bonds4

About 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one

8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one (PubChem CID 155594072) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
PubChem CID155594072
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCOc1cccc(Cn2cnc3c(F)cc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C19H15FN4O2/c1-26-15-4-2-3-12(5-15)10-24-11-21-18-16(19(24)25)6-13(7-17(18)20)14-8-22-23-9-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyYLOPUBFCINWQFR-UHFFFAOYSA-N
XLogP2.98
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The IUPAC name of 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one (CID 155594072) is 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one.
What is the SMILES notation for 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The canonical SMILES for 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one is COc1cccc(Cn2cnc3c(F)cc(-c4cn[nH]c4)cc3c2=O)c1.
What is the InChIKey of 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The InChIKey is YLOPUBFCINWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-26-15-4-2-3-12(5-15)10-24-11-21-18-16(19(24)25)6-13(7-17(18)20)14-8-22-23-9-14/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one has a molecular weight of 350.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one is sourced from PubChem (CID 155594072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).