6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

C26H25FN4 — CID 11517184

IUPAC6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(F)cc5)cc34)cc2)CC1
InChIInChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
InChIKeyRZZOZKNFFPMJFF-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.54
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 11517184) has the molecular formula C26H25FN4 and a molecular weight of 412.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID11517184
Molecular FormulaC26H25FN4
Molecular Weight412.51 g/mol
Exact Mass412.21
IUPAC Name6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(F)cc5)cc34)cc2)CC1
InChIInChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
InChIKeyRZZOZKNFFPMJFF-UHFFFAOYSA-N
XLogP5.54
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 11517184) is 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(F)cc5)cc34)cc2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is RZZOZKNFFPMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29).
What are the key properties of 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 412.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 11517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).