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

C21H30N4O3 — CID 42714988

IUPAC3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
SMILESCCC(=O)N1CCN(C(CC)c2nc3ccccc3c(=O)n2CCOC)CC1
InChIInChI=1S/C21H30N4O3/c1-4-18(23-10-12-24(13-11-23)19(26)5-2)20-22-17-9-7-6-8-16(17)21(27)25(20)14-15-28-3/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyJHODCTWWJZFGAQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.05
Rot. Bonds7

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

3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one (PubChem CID 42714988) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
PubChem CID42714988
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
SMILESCCC(=O)N1CCN(C(CC)c2nc3ccccc3c(=O)n2CCOC)CC1
InChIInChI=1S/C21H30N4O3/c1-4-18(23-10-12-24(13-11-23)19(26)5-2)20-22-17-9-7-6-8-16(17)21(27)25(20)14-15-28-3/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyJHODCTWWJZFGAQ-UHFFFAOYSA-N
XLogP2.05
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one (CID 42714988) is 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one is CCC(=O)N1CCN(C(CC)c2nc3ccccc3c(=O)n2CCOC)CC1.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one?
The InChIKey is JHODCTWWJZFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-18(23-10-12-24(13-11-23)19(26)5-2)20-22-17-9-7-6-8-16(17)21(27)25(20)14-15-28-3/h6-9,18H,4-5,10-15H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one has a molecular weight of 386.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 42714988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).