2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde

C23H25N3O3 — CID 86664666

IUPAC2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde
SMILESCOc1ccc(COc2cccc3c(N4CCN(CC=O)CC4)ccnc23)cc1
InChIInChI=1S/C23H25N3O3/c1-28-19-7-5-18(6-8-19)17-29-22-4-2-3-20-21(9-10-24-23(20)22)26-13-11-25(12-14-26)15-16-27/h2-10,16H,11-15,17H2,1H3
InChIKeyATEWKJZIHOZDRL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.14
Rot. Bonds7

About 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde

2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde (PubChem CID 86664666) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde
PubChem CID86664666
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde
SMILESCOc1ccc(COc2cccc3c(N4CCN(CC=O)CC4)ccnc23)cc1
InChIInChI=1S/C23H25N3O3/c1-28-19-7-5-18(6-8-19)17-29-22-4-2-3-20-21(9-10-24-23(20)22)26-13-11-25(12-14-26)15-16-27/h2-10,16H,11-15,17H2,1H3
InChIKeyATEWKJZIHOZDRL-UHFFFAOYSA-N
XLogP3.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde (CID 86664666) is 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde is COc1ccc(COc2cccc3c(N4CCN(CC=O)CC4)ccnc23)cc1.
What is the InChIKey of 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde?
The InChIKey is ATEWKJZIHOZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-19-7-5-18(6-8-19)17-29-22-4-2-3-20-21(9-10-24-23(20)22)26-13-11-25(12-14-26)15-16-27/h2-10,16H,11-15,17H2,1H3.
What are the key properties of 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde?
2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde has a molecular weight of 391.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 86664666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).