7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one

C18H15FN2O3 — CID 47088424

IUPAC7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H15FN2O3/c1-11-3-6-17(24-2)14(7-11)16(22)9-21-10-20-15-8-12(19)4-5-13(15)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyZYJXOUHXIVIOLW-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.74
Rot. Bonds4

About 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one

7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 47088424) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID47088424
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H15FN2O3/c1-11-3-6-17(24-2)14(7-11)16(22)9-21-10-20-15-8-12(19)4-5-13(15)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyZYJXOUHXIVIOLW-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

3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 51259521
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743883
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 8972258
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743890
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one (CID 47088424) is 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one is COc1ccc(C)cc1C(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is ZYJXOUHXIVIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-3-6-17(24-2)14(7-11)16(22)9-21-10-20-15-8-12(19)4-5-13(15)18(21)23/h3-8,10H,9H2,1-2H3.
What are the key properties of 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one?
7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-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 7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 47088424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).