N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine

C25H32N4 — CID 11741010

IUPACN-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine
SMILESCc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1
InChIInChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
InChIKeyISQPPFGYKGDIHL-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.35
Rot. Bonds3

About N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine

N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine (PubChem CID 11741010) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine
PubChem CID11741010
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC NameN-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine
SMILESCc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1
InChIInChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
InChIKeyISQPPFGYKGDIHL-UHFFFAOYSA-N
XLogP5.35
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.35
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-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine?
The IUPAC name of N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine (CID 11741010) is N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine.
What is the SMILES notation for N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine?
The canonical SMILES for N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine is Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1.
What is the InChIKey of N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine?
The InChIKey is ISQPPFGYKGDIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27).
What are the key properties of N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine?
N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine has a molecular weight of 388.56 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2,3,5,7-tetramethylquinolin-4-amine is sourced from PubChem (CID 11741010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).