2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine

C26H26N4 — CID 91408715

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESCN1CCN(c2ccc(-c3cc(N)c4cc(-c5ccccc5)ccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-13-15-30(16-14-29)22-10-7-20(8-11-22)26-18-24(27)23-17-21(9-12-25(23)28-26)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H2,27,28)
InChIKeyDGVQYZCSZMHBPW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.90
Rot. Bonds3

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine

2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (PubChem CID 91408715) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
PubChem CID91408715
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
SMILESCN1CCN(c2ccc(-c3cc(N)c4cc(-c5ccccc5)ccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-13-15-30(16-14-29)22-10-7-20(8-11-22)26-18-24(27)23-17-21(9-12-25(23)28-26)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H2,27,28)
InChIKeyDGVQYZCSZMHBPW-UHFFFAOYSA-N
XLogP4.90
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine (CID 91408715) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is CN1CCN(c2ccc(-c3cc(N)c4cc(-c5ccccc5)ccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
The InChIKey is DGVQYZCSZMHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-29-13-15-30(16-14-29)22-10-7-20(8-11-22)26-18-24(27)23-17-21(9-12-25(23)28-26)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H2,27,28).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine?
2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine has a molecular weight of 394.52 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine is sourced from PubChem (CID 91408715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).