2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

C22H23FN4O3 — CID 24524251

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C22H23FN4O3/c1-3-10-26(12-20(28)25-18-7-5-4-6-15(18)2)21(29)13-27-14-24-19-11-16(23)8-9-17(19)22(27)30/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28)
InChIKeyZVVFKQNILCRKNF-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.72
Rot. Bonds7

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (PubChem CID 24524251) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
PubChem CID24524251
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C22H23FN4O3/c1-3-10-26(12-20(28)25-18-7-5-4-6-15(18)2)21(29)13-27-14-24-19-11-16(23)8-9-17(19)22(27)30/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28)
InChIKeyZVVFKQNILCRKNF-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
CID 55862367
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 146131196
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575810
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (CID 24524251) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is ZVVFKQNILCRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-3-10-26(12-20(28)25-18-7-5-4-6-15(18)2)21(29)13-27-14-24-19-11-16(23)8-9-17(19)22(27)30/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28).
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 410.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 24524251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).