N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C23H26N4O3 — CID 652254

IUPACN-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-30-20-12-6-5-11-19(20)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-18-10-4-3-9-17(18)23(27)29/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,25,28)
InChIKeyWZUWBVRKNROCSV-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.03
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 652254) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID652254
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-30-20-12-6-5-11-19(20)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-18-10-4-3-9-17(18)23(27)29/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,25,28)
InChIKeyWZUWBVRKNROCSV-UHFFFAOYSA-N
XLogP3.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 652254) is N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is COc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is WZUWBVRKNROCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-20-12-6-5-11-19(20)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-18-10-4-3-9-17(18)23(27)29/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 652254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).