N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

C22H23FN4O2 — CID 50834508

IUPACN-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1
InChIInChI=1S/C22H23FN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyZLASABLZPAVQBW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.41
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 50834508) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
PubChem CID50834508
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1
InChIInChI=1S/C22H23FN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyZLASABLZPAVQBW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (CID 50834508) is N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is CC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is ZLASABLZPAVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 50834508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).