2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide

C17H14FN3O3 — CID 46584174

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C17H14FN3O3/c1-24-13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyQPWZETRCQWVHBA-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.18
Rot. Bonds4

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 46584174) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID46584174
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C17H14FN3O3/c1-24-13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyQPWZETRCQWVHBA-UHFFFAOYSA-N
XLogP2.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 155755499
N-(3-fluorophenyl)-2-[3-(3-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869683
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712280
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide (CID 46584174) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is QPWZETRCQWVHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-24-13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).