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

C18H24FN3O2 — CID 46581687

IUPACN-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H24FN3O2/c1-3-5-6-13(4-2)10-20-17(23)11-22-12-21-16-8-7-14(19)9-15(16)18(22)24/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,23)
InChIKeyJJNDQBBRUYJMBU-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.87
Rot. Bonds8

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

N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46581687) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID46581687
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H24FN3O2/c1-3-5-6-13(4-2)10-20-17(23)11-22-12-21-16-8-7-14(19)9-15(16)18(22)24/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,23)
InChIKeyJJNDQBBRUYJMBU-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
CID 55862367
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576408
N-(2-ethylhexyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 46550345
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 46400059
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 46581687) is N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCCCC(CC)CNC(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JJNDQBBRUYJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-3-5-6-13(4-2)10-20-17(23)11-22-12-21-16-8-7-14(19)9-15(16)18(22)24/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46581687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).