3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one

C18H15FN2O3 — CID 46484257

IUPAC3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
SMILESCOc1ccc(F)cc1C(=O)Cn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C18H15FN2O3/c1-11-3-5-15-13(7-11)18(23)21(10-20-15)9-16(22)14-8-12(19)4-6-17(14)24-2/h3-8,10H,9H2,1-2H3
InChIKeyTYASJQDTDMAUMD-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.74
Rot. Bonds4

About 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one

3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one (PubChem CID 46484257) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
PubChem CID46484257
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
SMILESCOc1ccc(F)cc1C(=O)Cn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C18H15FN2O3/c1-11-3-5-15-13(7-11)18(23)21(10-20-15)9-16(22)14-8-12(19)4-6-17(14)24-2/h3-8,10H,9H2,1-2H3
InChIKeyTYASJQDTDMAUMD-UHFFFAOYSA-N
XLogP2.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 8972258
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484194
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one (CID 46484257) is 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one is COc1ccc(F)cc1C(=O)Cn1cnc2ccc(C)cc2c1=O.
What is the InChIKey of 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one?
The InChIKey is TYASJQDTDMAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-3-5-15-13(7-11)18(23)21(10-20-15)9-16(22)14-8-12(19)4-6-17(14)24-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one?
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one has a molecular weight of 326.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 46484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).