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

C25H30N4O2 — CID 163345449

IUPAC2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-7-9-20(10-8-18)15-26-24(30)17-28-13-11-21(12-14-28)16-29-19(2)27-23-6-4-3-5-22(23)25(29)31/h3-10,21H,11-17H2,1-2H3,(H,26,30)
InChIKeyUMJNOJHJFIUZLJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.04
Rot. Bonds6

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

2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 163345449) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID163345449
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-7-9-20(10-8-18)15-26-24(30)17-28-13-11-21(12-14-28)16-29-19(2)27-23-6-4-3-5-22(23)25(29)31/h3-10,21H,11-17H2,1-2H3,(H,26,30)
InChIKeyUMJNOJHJFIUZLJ-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 90542873
3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
CID 154575991
N-benzyl-4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
CID 5323150
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-[(4-methylphenyl)methyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515362
3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 53159170
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 163345449) is 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1.
What is the InChIKey of 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is UMJNOJHJFIUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-7-9-20(10-8-18)15-26-24(30)17-28-13-11-21(12-14-28)16-29-19(2)27-23-6-4-3-5-22(23)25(29)31/h3-10,21H,11-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 163345449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).