2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C23H26N4O2 — CID 8969226

IUPAC2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-22(16-27-17-25-21-11-5-4-10-20(21)23(27)29)24-14-18-8-2-3-9-19(18)15-26-12-6-1-7-13-26/h2-5,8-11,17H,1,6-7,12-16H2,(H,24,28)
InChIKeySYHAWCJOHALLON-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8969226) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID8969226
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-22(16-27-17-25-21-11-5-4-10-20(21)23(27)29)24-14-18-8-2-3-9-19(18)15-26-12-6-1-7-13-26/h2-5,8-11,17H,1,6-7,12-16H2,(H,24,28)
InChIKeySYHAWCJOHALLON-UHFFFAOYSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 16622190
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 8969226) is 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is SYHAWCJOHALLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(16-27-17-25-21-11-5-4-10-20(21)23(27)29)24-14-18-8-2-3-9-19(18)15-26-12-6-1-7-13-26/h2-5,8-11,17H,1,6-7,12-16H2,(H,24,28).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8969226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).