6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

C26H25FN4 — CID 11640212

IUPAC6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)21-9-7-20(8-10-21)29-26-12-13-28-25-11-6-19(18-23(25)26)22-4-2-3-5-24(22)27/h2-13,18H,14-17H2,1H3,(H,28,29)
InChIKeyORWZMLUBRDJKPK-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.54
Rot. Bonds4

About 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 11640212) has the molecular formula C26H25FN4 and a molecular weight of 412.51 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID11640212
Molecular FormulaC26H25FN4
Molecular Weight412.51 g/mol
Exact Mass412.21
IUPAC Name6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)21-9-7-20(8-10-21)29-26-12-13-28-25-11-6-19(18-23(25)26)22-4-2-3-5-24(22)27/h2-13,18H,14-17H2,1H3,(H,28,29)
InChIKeyORWZMLUBRDJKPK-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'}

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Related Compounds

3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenol
CID 11611254
3-[4-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenyl]propanoic acid
CID 11525592
2-[4-(4-piperazin-1-ylanilino)quinolin-6-yl]benzonitrile
CID 91194952
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
CID 68936358
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
CID 68933020
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 6990065
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-(1H-indol-4-yl)quinolin-4-amine
CID 68932914
N-[[6-(2-methylphenyl)isoquinolin-1-yl]methyl]-4-(4-methylpiperazin-1-yl)aniline
CID 90999697
6-(4-isocyanophenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinolin-4-amine
CID 59834744
7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
CID 635250
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
4-N-[(2-fluorophenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112891199

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 11640212) is 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5F)cc34)cc2)CC1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is ORWZMLUBRDJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)21-9-7-20(8-10-21)29-26-12-13-28-25-11-6-19(18-23(25)26)22-4-2-3-5-24(22)27/h2-13,18H,14-17H2,1H3,(H,28,29).
What are the key properties of 6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
6-(2-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-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 11640212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).