methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate

C17H20N4O4 — CID 122603685

IUPACmethyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
SMILESCOC(=O)Cn1cnc2ccc(N3CCN(C(C)=O)CC3)cc2c1=O
InChIInChI=1S/C17H20N4O4/c1-12(22)19-5-7-20(8-6-19)13-3-4-15-14(9-13)17(24)21(11-18-15)10-16(23)25-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyLLMVRWJWYYRCBD-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.24
Rot. Bonds3

About methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate

methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate (PubChem CID 122603685) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
PubChem CID122603685
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namemethyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
SMILESCOC(=O)Cn1cnc2ccc(N3CCN(C(C)=O)CC3)cc2c1=O
InChIInChI=1S/C17H20N4O4/c1-12(22)19-5-7-20(8-6-19)13-3-4-15-14(9-13)17(24)21(11-18-15)10-16(23)25-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyLLMVRWJWYYRCBD-UHFFFAOYSA-N
XLogP0.24
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 122603669
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-chloro-3-pyridinyl)methyl]acetamide
CID 122603636
4-[4-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-3-oxobutyl]-3-methoxybenzonitrile
CID 161162995
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
CID 122603765
6-(4-acetyl-1,4-diazepan-1-yl)-3-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]quinazolin-4-one
CID 159708033
2-[6-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 122603818
6-(4-acetylpiperazin-1-yl)-3-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]quinazolin-4-one
CID 172635975
N-[(3,4-dichlorophenyl)methyl]-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 122603807
tert-butyl 4-[3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxylate
CID 91250393
6-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55753644
N-cyclopentyl-4-[3-[2-(3,4-dichloro-N-methylanilino)-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxamide
CID 122603736
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6,7-dimethoxyquinazolin-4-one
CID 29135161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate (CID 122603685) is methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate is COC(=O)Cn1cnc2ccc(N3CCN(C(C)=O)CC3)cc2c1=O.
What is the InChIKey of methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate?
The InChIKey is LLMVRWJWYYRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12(22)19-5-7-20(8-6-19)13-3-4-15-14(9-13)17(24)21(11-18-15)10-16(23)25-2/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate?
methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate has a molecular weight of 344.37 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate is sourced from PubChem (CID 122603685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).