8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline

C21H23N3O2 — CID 67504085

IUPAC8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
SMILESCOc1ccc(COc2cccc3c(N4CCNCC4)ccnc23)cc1
InChIInChI=1S/C21H23N3O2/c1-25-17-7-5-16(6-8-17)15-26-20-4-2-3-18-19(9-10-23-21(18)20)24-13-11-22-12-14-24/h2-10,22H,11-15H2,1H3
InChIKeyDDTHXJPZNFZKMZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.23
Rot. Bonds5

About 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline

8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline (PubChem CID 67504085) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
PubChem CID67504085
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
SMILESCOc1ccc(COc2cccc3c(N4CCNCC4)ccnc23)cc1
InChIInChI=1S/C21H23N3O2/c1-25-17-7-5-16(6-8-17)15-26-20-4-2-3-18-19(9-10-23-21(18)20)24-13-11-22-12-14-24/h2-10,22H,11-15H2,1H3
InChIKeyDDTHXJPZNFZKMZ-UHFFFAOYSA-N
XLogP3.23
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline?
The IUPAC name of 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline (CID 67504085) is 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline.
What is the SMILES notation for 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline?
The canonical SMILES for 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline is COc1ccc(COc2cccc3c(N4CCNCC4)ccnc23)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline?
The InChIKey is DDTHXJPZNFZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-17-7-5-16(6-8-17)15-26-20-4-2-3-18-19(9-10-23-21(18)20)24-13-11-22-12-14-24/h2-10,22H,11-15H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline?
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline has a molecular weight of 349.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline is sourced from PubChem (CID 67504085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).