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

C26H26N4 — CID 3264448

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-15-17-30(18-16-29)23-10-8-22(9-11-23)28-26-13-14-27-25-12-7-21(19-24(25)26)20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,27,28)
InChIKeyYMBNETKULXIEPR-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.40
Rot. Bonds4

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

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (PubChem CID 3264448) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
PubChem CID3264448
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-15-17-30(18-16-29)23-10-8-22(9-11-23)28-26-13-14-27-25-12-7-21(19-24(25)26)20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,27,28)
InChIKeyYMBNETKULXIEPR-UHFFFAOYSA-N
XLogP5.40
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (CID 3264448) is N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5)cc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The InChIKey is YMBNETKULXIEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-29-15-17-30(18-16-29)23-10-8-22(9-11-23)28-26-13-14-27-25-12-7-21(19-24(25)26)20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,27,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine has a molecular weight of 394.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is sourced from PubChem (CID 3264448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).