N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

C22H23FN4O2 — CID 50834649

IUPACN-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(=O)nc(N2CCCCC2)c2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-15-9-10-16(23)13-18(15)24-20(28)14-27-19-8-4-3-7-17(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyFGVICUFTDNYNCH-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.47
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (PubChem CID 50834649) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
PubChem CID50834649
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(=O)nc(N2CCCCC2)c2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-15-9-10-16(23)13-18(15)24-20(28)14-27-19-8-4-3-7-17(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyFGVICUFTDNYNCH-UHFFFAOYSA-N
XLogP3.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (CID 50834649) is N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1c(=O)nc(N2CCCCC2)c2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The InChIKey is FGVICUFTDNYNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-9-10-16(23)13-18(15)24-20(28)14-27-19-8-4-3-7-17(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is sourced from PubChem (CID 50834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).