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

C16H13FN2O2 — CID 118722436

IUPAC7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O2/c1-21-13-5-2-11(3-6-13)9-19-10-18-15-8-12(17)4-7-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKeyAGLWWYLIKDIYFQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.59
Rot. Bonds3

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

7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (PubChem CID 118722436) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
PubChem CID118722436
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O2/c1-21-13-5-2-11(3-6-13)9-19-10-18-15-8-12(17)4-7-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKeyAGLWWYLIKDIYFQ-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
CID 167915221
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
CID 34093322
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (CID 118722436) is 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is COc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1.
What is the InChIKey of 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is AGLWWYLIKDIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-13-5-2-11(3-6-13)9-19-10-18-15-8-12(17)4-7-14(15)16(19)20/h2-8,10H,9H2,1H3.
What are the key properties of 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 284.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 118722436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).