3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one

C25H30N4O3 — CID 42717162

IUPAC3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCCn1c(C(C)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O3/c1-4-29-24(26-22-8-6-5-7-21(22)25(29)31)18(2)27-13-15-28(16-14-27)23(30)17-19-9-11-20(32-3)12-10-19/h5-12,18H,4,13-17H2,1-3H3
InChIKeyQRPWEOWGAWADKY-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.87
Rot. Bonds6

About 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one

3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 42717162) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID42717162
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCCn1c(C(C)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O3/c1-4-29-24(26-22-8-6-5-7-21(22)25(29)31)18(2)27-13-15-28(16-14-27)23(30)17-19-9-11-20(32-3)12-10-19/h5-12,18H,4,13-17H2,1-3H3
InChIKeyQRPWEOWGAWADKY-UHFFFAOYSA-N
XLogP2.87
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one with MolForge

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Related Compounds

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714297
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one (CID 42717162) is 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one is CCn1c(C(C)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is QRPWEOWGAWADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-29-24(26-22-8-6-5-7-21(22)25(29)31)18(2)27-13-15-28(16-14-27)23(30)17-19-9-11-20(32-3)12-10-19/h5-12,18H,4,13-17H2,1-3H3.
What are the key properties of 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one?
3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 434.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 42717162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).