3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one

C17H13FN4O2 — CID 39804596

IUPAC3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2ncn(Cc3nc4ccc(F)cc4[nH]3)c(=O)c2c1
InChIInChI=1S/C17H13FN4O2/c1-24-11-3-5-13-12(7-11)17(23)22(9-19-13)8-16-20-14-4-2-10(18)6-15(14)21-16/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyLOKVULOJEXBGHB-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.47
Rot. Bonds3

About 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one

3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one (PubChem CID 39804596) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
PubChem CID39804596
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2ncn(Cc3nc4ccc(F)cc4[nH]3)c(=O)c2c1
InChIInChI=1S/C17H13FN4O2/c1-24-11-3-5-13-12(7-11)17(23)22(9-19-13)8-16-20-14-4-2-10(18)6-15(14)21-16/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyLOKVULOJEXBGHB-UHFFFAOYSA-N
XLogP2.47
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39826453
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)quinazolin-4-one
CID 39830460
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39791294
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 155755499
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one?
The IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one (CID 39804596) is 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one is COc1ccc2ncn(Cc3nc4ccc(F)cc4[nH]3)c(=O)c2c1.
What is the InChIKey of 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one?
The InChIKey is LOKVULOJEXBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-24-11-3-5-13-12(7-11)17(23)22(9-19-13)8-16-20-14-4-2-10(18)6-15(14)21-16/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one?
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one has a molecular weight of 324.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one is sourced from PubChem (CID 39804596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).