7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline

C23H26FN3O — CID 135260084

IUPAC7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline
SMILESCCN1CCN(C(c2ccc(F)cc2)c2cc3ncccc3cc2OC)CC1
InChIInChI=1S/C23H26FN3O/c1-3-26-11-13-27(14-12-26)23(17-6-8-19(24)9-7-17)20-16-21-18(5-4-10-25-21)15-22(20)28-2/h4-10,15-16,23H,3,11-14H2,1-2H3
InChIKeyWSXXMAPYGLOLNF-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.11
Rot. Bonds5

About 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline

7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline (PubChem CID 135260084) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline.

Molecular Properties

Compound Name7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline
PubChem CID135260084
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline
SMILESCCN1CCN(C(c2ccc(F)cc2)c2cc3ncccc3cc2OC)CC1
InChIInChI=1S/C23H26FN3O/c1-3-26-11-13-27(14-12-26)23(17-6-8-19(24)9-7-17)20-16-21-18(5-4-10-25-21)15-22(20)28-2/h4-10,15-16,23H,3,11-14H2,1-2H3
InChIKeyWSXXMAPYGLOLNF-UHFFFAOYSA-N
XLogP4.11
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline?
The IUPAC name of 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline (CID 135260084) is 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline.
What is the SMILES notation for 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline?
The canonical SMILES for 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline is CCN1CCN(C(c2ccc(F)cc2)c2cc3ncccc3cc2OC)CC1.
What is the InChIKey of 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline?
The InChIKey is WSXXMAPYGLOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-3-26-11-13-27(14-12-26)23(17-6-8-19(24)9-7-17)20-16-21-18(5-4-10-25-21)15-22(20)28-2/h4-10,15-16,23H,3,11-14H2,1-2H3.
What are the key properties of 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline?
7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline has a molecular weight of 379.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline is sourced from PubChem (CID 135260084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).