2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one

C26H32N4O3 — CID 42714630

IUPAC2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N1CCN(C(=O)c2ccccc2)C(C)C1
InChIInChI=1S/C26H32N4O3/c1-4-23(24-27-22-13-9-8-12-21(22)26(32)30(24)16-17-33-3)28-14-15-29(19(2)18-28)25(31)20-10-6-5-7-11-20/h5-13,19,23H,4,14-18H2,1-3H3
InChIKeyZJLSHSGNZXIBTN-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.34
Rot. Bonds7

About 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one

2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 42714630) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID42714630
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N1CCN(C(=O)c2ccccc2)C(C)C1
InChIInChI=1S/C26H32N4O3/c1-4-23(24-27-22-13-9-8-12-21(22)26(32)30(24)16-17-33-3)28-14-15-29(19(2)18-28)25(31)20-10-6-5-7-11-20/h5-13,19,23H,4,14-18H2,1-3H3
InChIKeyZJLSHSGNZXIBTN-UHFFFAOYSA-N
XLogP3.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
2-[1-[4-(3-chloro-2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714549
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42719950
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one (CID 42714630) is 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1CCOC)N1CCN(C(=O)c2ccccc2)C(C)C1.
What is the InChIKey of 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is ZJLSHSGNZXIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-4-23(24-27-22-13-9-8-12-21(22)26(32)30(24)16-17-33-3)28-14-15-29(19(2)18-28)25(31)20-10-6-5-7-11-20/h5-13,19,23H,4,14-18H2,1-3H3.
What are the key properties of 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 448.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 42714630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).