N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C18H23FN4O3 — CID 55575810

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-5-22(9-15(24)21-18(2,3)4)16(25)10-23-11-20-14-7-6-12(19)8-13(14)17(23)26/h6-8,11H,5,9-10H2,1-4H3,(H,21,24)
InChIKeyIRIFRMDMRZPWTL-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55575810) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID55575810
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-5-22(9-15(24)21-18(2,3)4)16(25)10-23-11-20-14-7-6-12(19)8-13(14)17(23)26/h6-8,11H,5,9-10H2,1-4H3,(H,21,24)
InChIKeyIRIFRMDMRZPWTL-UHFFFAOYSA-N
XLogP1.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
CID 55862367
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 31213209
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 55575810) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is IRIFRMDMRZPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-5-22(9-15(24)21-18(2,3)4)16(25)10-23-11-20-14-7-6-12(19)8-13(14)17(23)26/h6-8,11H,5,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55575810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).