2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H27N5O3 — CID 134061926

IUPAC2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(CC(=O)NC(C)C)CC3)cnc12
InChIInChI=1S/C20H27N5O3/c1-14(2)22-17(26)11-23-7-9-24(10-8-23)18(27)12-25-13-21-19-15(3)5-4-6-16(19)20(25)28/h4-6,13-14H,7-12H2,1-3H3,(H,22,26)
InChIKeyDWHQYFBHFYXTFD-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.37
Rot. Bonds5

About 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 134061926) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID134061926
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(CC(=O)NC(C)C)CC3)cnc12
InChIInChI=1S/C20H27N5O3/c1-14(2)22-17(26)11-23-7-9-24(10-8-23)18(27)12-25-13-21-19-15(3)5-4-6-16(19)20(25)28/h4-6,13-14H,7-12H2,1-3H3,(H,22,26)
InChIKeyDWHQYFBHFYXTFD-UHFFFAOYSA-N
XLogP0.37
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
3-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35273467
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 52519291
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 34408005
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 134061926) is 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cccc2c(=O)n(CC(=O)N3CCN(CC(=O)NC(C)C)CC3)cnc12.
What is the InChIKey of 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DWHQYFBHFYXTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(2)22-17(26)11-23-7-9-24(10-8-23)18(27)12-25-13-21-19-15(3)5-4-6-16(19)20(25)28/h4-6,13-14H,7-12H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 385.47 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 134061926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).