N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

C24H28N4O2 — CID 53129653

IUPACN-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N4O2/c1-17-7-9-19(10-8-17)15-25-22(29)16-28-21-6-4-3-5-20(21)23(26-24(28)30)27-13-11-18(2)12-14-27/h3-10,18H,11-16H2,1-2H3,(H,25,29)
InChIKeyUKMMUOQNPGJCJW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 53129653) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
PubChem CID53129653
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N4O2/c1-17-7-9-19(10-8-17)15-25-22(29)16-28-21-6-4-3-5-20(21)23(26-24(28)30)27-13-11-18(2)12-14-27/h3-10,18H,11-16H2,1-2H3,(H,25,29)
InChIKeyUKMMUOQNPGJCJW-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834559
N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
ethyl 4-[[2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetyl]amino]benzoate
CID 92896926
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53043926
2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50834473
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (CID 53129653) is N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is UKMMUOQNPGJCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-9-19(10-8-17)15-25-22(29)16-28-21-6-4-3-5-20(21)23(26-24(28)30)27-13-11-18(2)12-14-27/h3-10,18H,11-16H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 53129653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).