7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one

C16H12F2N2O2 — CID 18099398

IUPAC7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-22-15-5-2-10(6-13(15)18)8-20-9-19-14-7-11(17)3-4-12(14)16(20)21/h2-7,9H,8H2,1H3
InChIKeyQXMFIDLIGUTTMK-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.73
Rot. Bonds3

About 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one

7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one (PubChem CID 18099398) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
PubChem CID18099398
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-22-15-5-2-10(6-13(15)18)8-20-9-19-14-7-11(17)3-4-12(14)16(20)21/h2-7,9H,8H2,1H3
InChIKeyQXMFIDLIGUTTMK-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one (CID 18099398) is 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one is COc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1F.
What is the InChIKey of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is QXMFIDLIGUTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-22-15-5-2-10(6-13(15)18)8-20-9-19-14-7-11(17)3-4-12(14)16(20)21/h2-7,9H,8H2,1H3.
What are the key properties of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one?
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 302.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 18099398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).