2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide

C18H16FN3O2 — CID 46585768

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12(13-5-3-2-4-6-13)21-17(23)10-22-11-20-16-8-7-14(19)9-15(16)18(22)24/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyLWJDZDAFORTWFQ-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.41
Rot. Bonds4

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 46585768) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID46585768
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12(13-5-3-2-4-6-13)21-17(23)10-22-11-20-16-8-7-14(19)9-15(16)18(22)24/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyLWJDZDAFORTWFQ-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[1-(3-bromophenyl)ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55577613
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide (CID 46585768) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccccc1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is LWJDZDAFORTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(13-5-3-2-4-6-13)21-17(23)10-22-11-20-16-8-7-14(19)9-15(16)18(22)24/h2-9,11-12H,10H2,1H3,(H,21,23).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46585768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).